USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 MET CE :methyl -160:sc= -0.108 (180deg=-0.317) USER MOD Set 1.2: A 87 MET CE :methyl -139:sc= -0.0287 (180deg=0) USER MOD Set 2.1: A 34 MET CE :methyl -165:sc= -4.67! (180deg=-2.2!) USER MOD Set 2.2: A 58 ASN : amide:sc= -6.58! C(o=-11!,f=-8.8!) USER MOD Single : A 9 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.2!) USER MOD Single : A 13 GLN : amide:sc= -1.62! C(o=-1.6!,f=-0.97!) USER MOD Single : A 16 GLN : amide:sc= -0.483 K(o=-0.48,f=-1.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.26) USER MOD Single : A 28 LYS NZ :NH3+ -114:sc= -6.52! (180deg=-7.68!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 151:sc= -6.55! (180deg=-10.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= -0.598 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -158:sc= -1.19! USER MOD Single : A 55 THR OG1 : rot -160:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc=-0.00356 X(o=-0.0036,f=-0.017) USER MOD Single : A 76 SER OG : rot 180:sc= -0.291 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.62) USER MOD Single : A 102 SER OG : rot 180:sc= -4.39! USER MOD Single : A 107 MET CE :methyl -111:sc= -9.32! (180deg=-14!) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 8 -1.119 -18.958 -5.691 1.00 0.00 N ATOM 116 CA PRO A 8 -0.397 -17.848 -5.095 1.00 0.00 C ATOM 117 C PRO A 8 -1.295 -16.617 -4.964 1.00 0.00 C ATOM 118 O PRO A 8 -0.835 -15.548 -4.566 1.00 0.00 O ATOM 119 CB PRO A 8 0.796 -17.619 -6.010 1.00 0.00 C ATOM 120 CG PRO A 8 0.446 -18.294 -7.326 1.00 0.00 C ATOM 121 CD PRO A 8 -0.751 -19.199 -7.084 1.00 0.00 C ATOM 0 HA PRO A 8 -0.068 -18.058 -4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.980 -16.554 -6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.704 -18.044 -5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.213 -17.549 -8.087 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.293 -18.872 -7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.573 -18.958 -7.758 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.497 -20.246 -7.252 1.00 0.00 H new ATOM 129 N GLN A 9 -2.561 -16.807 -5.307 1.00 0.00 N ATOM 130 CA GLN A 9 -3.527 -15.725 -5.232 1.00 0.00 C ATOM 131 C GLN A 9 -3.978 -15.515 -3.785 1.00 0.00 C ATOM 132 O GLN A 9 -4.131 -14.379 -3.338 1.00 0.00 O ATOM 133 CB GLN A 9 -4.725 -15.996 -6.145 1.00 0.00 C ATOM 134 CG GLN A 9 -4.922 -14.853 -7.143 1.00 0.00 C ATOM 135 CD GLN A 9 -4.255 -15.174 -8.483 1.00 0.00 C ATOM 136 OE1 GLN A 9 -4.219 -16.308 -8.932 1.00 0.00 O ATOM 137 NE2 GLN A 9 -3.732 -14.115 -9.093 1.00 0.00 N ATOM 0 H GLN A 9 -2.940 -17.695 -5.638 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.046 -14.810 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.573 -16.932 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.626 -16.118 -5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.987 -14.678 -7.295 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.503 -13.933 -6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.798 -13.193 -8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.265 -14.224 -9.993 1.00 0.00 H new ATOM 146 N ARG A 10 -4.178 -16.626 -3.093 1.00 0.00 N ATOM 147 CA ARG A 10 -4.608 -16.579 -1.706 1.00 0.00 C ATOM 148 C ARG A 10 -3.610 -15.780 -0.868 1.00 0.00 C ATOM 149 O ARG A 10 -3.961 -14.757 -0.283 1.00 0.00 O ATOM 150 CB ARG A 10 -4.743 -17.987 -1.122 1.00 0.00 C ATOM 151 CG ARG A 10 -5.441 -17.951 0.239 1.00 0.00 C ATOM 152 CD ARG A 10 -4.419 -17.966 1.378 1.00 0.00 C ATOM 153 NE ARG A 10 -4.690 -19.104 2.285 1.00 0.00 N ATOM 154 CZ ARG A 10 -4.170 -20.341 2.122 1.00 0.00 C ATOM 155 NH1 ARG A 10 -3.349 -20.607 1.085 1.00 0.00 N ATOM 156 NH2 ARG A 10 -4.478 -21.284 2.993 1.00 0.00 N ATOM 0 H ARG A 10 -4.050 -17.566 -3.467 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.583 -16.092 -1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.309 -18.617 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.756 -18.437 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.059 -17.056 0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.108 -18.808 0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.411 -18.046 0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.466 -17.029 1.933 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.307 -18.945 3.082 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.117 -19.872 0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.961 -21.543 0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.100 -21.074 3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.094 -22.223 2.885 1.00 0.00 H new ATOM 169 N VAL A 11 -2.380 -16.277 -0.837 1.00 0.00 N ATOM 170 CA VAL A 11 -1.327 -15.623 -0.080 1.00 0.00 C ATOM 171 C VAL A 11 -1.249 -14.151 -0.492 1.00 0.00 C ATOM 172 O VAL A 11 -1.105 -13.272 0.357 1.00 0.00 O ATOM 173 CB VAL A 11 -0.006 -16.369 -0.270 1.00 0.00 C ATOM 174 CG1 VAL A 11 0.849 -15.704 -1.351 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.762 -16.470 1.049 1.00 0.00 C ATOM 0 H VAL A 11 -2.091 -17.125 -1.324 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.549 -15.650 0.987 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.239 -17.381 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.783 -16.254 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.307 -15.707 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.067 -14.676 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.697 -17.005 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.977 -15.469 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.159 -17.008 1.781 1.00 0.00 H new ATOM 185 N ALA A 12 -1.344 -13.928 -1.794 1.00 0.00 N ATOM 186 CA ALA A 12 -1.285 -12.580 -2.330 1.00 0.00 C ATOM 187 C ALA A 12 -2.445 -11.758 -1.760 1.00 0.00 C ATOM 188 O ALA A 12 -2.289 -10.570 -1.477 1.00 0.00 O ATOM 189 CB ALA A 12 -1.306 -12.634 -3.858 1.00 0.00 C ATOM 0 H ALA A 12 -1.462 -14.660 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.356 -12.091 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.262 -11.621 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.447 -13.203 -4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.224 -13.117 -4.192 1.00 0.00 H new ATOM 195 N GLN A 13 -3.580 -12.423 -1.606 1.00 0.00 N ATOM 196 CA GLN A 13 -4.764 -11.770 -1.076 1.00 0.00 C ATOM 197 C GLN A 13 -4.586 -11.477 0.416 1.00 0.00 C ATOM 198 O GLN A 13 -4.549 -10.319 0.824 1.00 0.00 O ATOM 199 CB GLN A 13 -6.015 -12.617 -1.323 1.00 0.00 C ATOM 200 CG GLN A 13 -6.488 -12.486 -2.771 1.00 0.00 C ATOM 201 CD GLN A 13 -6.616 -11.016 -3.176 1.00 0.00 C ATOM 202 OE1 GLN A 13 -7.641 -10.381 -2.988 1.00 0.00 O ATOM 203 NE2 GLN A 13 -5.523 -10.514 -3.741 1.00 0.00 N ATOM 0 H GLN A 13 -3.705 -13.408 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.897 -10.823 -1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.801 -13.662 -1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.810 -12.303 -0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.784 -12.989 -3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.450 -12.985 -2.889 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.699 -11.101 -3.868 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.508 -9.541 -4.047 1.00 0.00 H new ATOM 212 N GLU A 14 -4.478 -12.549 1.186 1.00 0.00 N ATOM 213 CA GLU A 14 -4.304 -12.423 2.623 1.00 0.00 C ATOM 214 C GLU A 14 -3.352 -11.268 2.944 1.00 0.00 C ATOM 215 O GLU A 14 -3.593 -10.499 3.872 1.00 0.00 O ATOM 216 CB GLU A 14 -3.802 -13.733 3.234 1.00 0.00 C ATOM 217 CG GLU A 14 -4.965 -14.568 3.772 1.00 0.00 C ATOM 218 CD GLU A 14 -5.516 -13.970 5.069 1.00 0.00 C ATOM 219 OE1 GLU A 14 -6.102 -12.878 5.047 1.00 0.00 O ATOM 220 OE2 GLU A 14 -5.315 -14.681 6.126 1.00 0.00 O ATOM 0 H GLU A 14 -4.508 -13.509 0.842 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.275 -12.203 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.257 -14.304 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.101 -13.517 4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.757 -14.618 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.631 -15.590 3.952 1.00 0.00 H new ATOM 228 N MET A 15 -2.290 -11.184 2.156 1.00 0.00 N ATOM 229 CA MET A 15 -1.300 -10.137 2.342 1.00 0.00 C ATOM 230 C MET A 15 -1.837 -8.785 1.870 1.00 0.00 C ATOM 231 O MET A 15 -1.595 -7.760 2.507 1.00 0.00 O ATOM 232 CB MET A 15 -0.033 -10.486 1.559 1.00 0.00 C ATOM 233 CG MET A 15 1.154 -10.698 2.501 1.00 0.00 C ATOM 234 SD MET A 15 2.340 -11.801 1.749 1.00 0.00 S ATOM 235 CE MET A 15 3.852 -10.926 2.118 1.00 0.00 C ATOM 0 H MET A 15 -2.094 -11.824 1.387 1.00 0.00 H new ATOM 0 HA MET A 15 -1.071 -10.064 3.405 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.201 -11.389 0.972 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.195 -9.686 0.855 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.626 -9.742 2.726 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.808 -11.113 3.448 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.640 -11.260 1.443 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.693 -9.855 1.989 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.147 -11.128 3.148 1.00 0.00 H new ATOM 245 N GLN A 16 -2.556 -8.825 0.758 1.00 0.00 N ATOM 246 CA GLN A 16 -3.129 -7.615 0.193 1.00 0.00 C ATOM 247 C GLN A 16 -4.163 -7.022 1.150 1.00 0.00 C ATOM 248 O GLN A 16 -4.310 -5.803 1.233 1.00 0.00 O ATOM 249 CB GLN A 16 -3.746 -7.891 -1.180 1.00 0.00 C ATOM 250 CG GLN A 16 -3.936 -6.592 -1.966 1.00 0.00 C ATOM 251 CD GLN A 16 -5.419 -6.240 -2.093 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.268 -6.745 -1.377 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.685 -5.347 -3.043 1.00 0.00 N ATOM 0 H GLN A 16 -2.755 -9.677 0.233 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.330 -6.886 0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.104 -8.570 -1.742 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.707 -8.390 -1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.407 -5.780 -1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.497 -6.696 -2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.928 -4.962 -3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.646 -5.047 -3.206 1.00 0.00 H new ATOM 262 N LYS A 17 -4.854 -7.909 1.849 1.00 0.00 N ATOM 263 CA LYS A 17 -5.872 -7.487 2.798 1.00 0.00 C ATOM 264 C LYS A 17 -5.194 -6.951 4.060 1.00 0.00 C ATOM 265 O LYS A 17 -5.635 -5.953 4.629 1.00 0.00 O ATOM 266 CB LYS A 17 -6.859 -8.625 3.066 1.00 0.00 C ATOM 267 CG LYS A 17 -6.495 -9.376 4.348 1.00 0.00 C ATOM 268 CD LYS A 17 -7.107 -8.696 5.574 1.00 0.00 C ATOM 269 CE LYS A 17 -6.388 -9.126 6.855 1.00 0.00 C ATOM 270 NZ LYS A 17 -7.368 -9.417 7.926 1.00 0.00 N ATOM 0 H LYS A 17 -4.730 -8.919 1.778 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.466 -6.672 2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.869 -8.223 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.860 -9.316 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.849 -10.405 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.411 -9.418 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.044 -7.613 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.165 -8.948 5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.781 -10.010 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.708 -8.338 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.864 -9.707 8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.930 -8.564 8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.000 -10.184 7.619 1.00 0.00 H new ATOM 283 N GLU A 18 -4.133 -7.636 4.461 1.00 0.00 N ATOM 284 CA GLU A 18 -3.391 -7.240 5.646 1.00 0.00 C ATOM 285 C GLU A 18 -2.670 -5.913 5.402 1.00 0.00 C ATOM 286 O GLU A 18 -2.637 -5.050 6.276 1.00 0.00 O ATOM 287 CB GLU A 18 -2.403 -8.332 6.063 1.00 0.00 C ATOM 288 CG GLU A 18 -1.724 -7.978 7.389 1.00 0.00 C ATOM 289 CD GLU A 18 -2.674 -8.200 8.568 1.00 0.00 C ATOM 290 OE1 GLU A 18 -2.927 -9.352 8.951 1.00 0.00 O ATOM 291 OE2 GLU A 18 -3.153 -7.123 9.091 1.00 0.00 O ATOM 0 H GLU A 18 -3.770 -8.463 3.986 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.097 -7.102 6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.926 -9.283 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.649 -8.461 5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.830 -8.588 7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.400 -6.937 7.369 1.00 0.00 H new ATOM 299 N ILE A 19 -2.109 -5.793 4.207 1.00 0.00 N ATOM 300 CA ILE A 19 -1.389 -4.585 3.838 1.00 0.00 C ATOM 301 C ILE A 19 -2.393 -3.462 3.564 1.00 0.00 C ATOM 302 O ILE A 19 -2.207 -2.335 4.019 1.00 0.00 O ATOM 303 CB ILE A 19 -0.444 -4.862 2.667 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.210 -4.926 1.344 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.378 -6.129 2.915 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.313 -5.432 0.214 1.00 0.00 C ATOM 0 H ILE A 19 -2.138 -6.511 3.483 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.754 -4.254 4.660 1.00 0.00 H new ATOM 0 HB ILE A 19 0.257 -4.031 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.072 -5.584 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.593 -3.937 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.042 -6.304 2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.971 -6.006 3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.292 -6.980 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.883 -5.468 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.535 -4.758 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.049 -6.431 0.456 1.00 0.00 H new ATOM 318 N ALA A 20 -3.434 -3.811 2.823 1.00 0.00 N ATOM 319 CA ALA A 20 -4.468 -2.846 2.483 1.00 0.00 C ATOM 320 C ALA A 20 -5.041 -2.246 3.769 1.00 0.00 C ATOM 321 O ALA A 20 -5.396 -1.069 3.804 1.00 0.00 O ATOM 322 CB ALA A 20 -5.539 -3.526 1.629 1.00 0.00 C ATOM 0 H ALA A 20 -3.585 -4.748 2.448 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.052 -2.028 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.314 -2.803 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.086 -3.910 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.981 -4.350 2.189 1.00 0.00 H new ATOM 328 N LEU A 21 -5.113 -3.083 4.795 1.00 0.00 N ATOM 329 CA LEU A 21 -5.637 -2.650 6.079 1.00 0.00 C ATOM 330 C LEU A 21 -4.641 -1.691 6.732 1.00 0.00 C ATOM 331 O LEU A 21 -4.973 -0.539 7.008 1.00 0.00 O ATOM 332 CB LEU A 21 -5.990 -3.859 6.949 1.00 0.00 C ATOM 333 CG LEU A 21 -6.345 -3.554 8.405 1.00 0.00 C ATOM 334 CD1 LEU A 21 -7.784 -3.967 8.717 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.341 -4.206 9.360 1.00 0.00 C ATOM 0 H LEU A 21 -4.817 -4.059 4.762 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.569 -2.101 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.832 -4.378 6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.146 -4.549 6.938 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.281 -2.476 8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.010 -3.739 9.759 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.468 -3.420 8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.901 -5.037 8.546 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.615 -3.975 10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.351 -5.286 9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.342 -3.822 9.155 1.00 0.00 H new ATOM 347 N ILE A 22 -3.440 -2.200 6.962 1.00 0.00 N ATOM 348 CA ILE A 22 -2.394 -1.403 7.579 1.00 0.00 C ATOM 349 C ILE A 22 -2.124 -0.167 6.718 1.00 0.00 C ATOM 350 O ILE A 22 -1.580 0.824 7.200 1.00 0.00 O ATOM 351 CB ILE A 22 -1.151 -2.257 7.836 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.493 -3.483 8.686 1.00 0.00 C ATOM 353 CG2 ILE A 22 -0.031 -1.421 8.459 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.292 -4.426 8.794 1.00 0.00 C ATOM 0 H ILE A 22 -3.168 -3.156 6.732 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.715 -1.046 8.557 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.784 -2.623 6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.801 -3.165 9.682 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.337 -4.012 8.245 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.841 -2.052 8.632 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.237 -0.609 7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.372 -1.005 9.407 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.561 -5.289 9.403 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.001 -4.761 7.798 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.543 -3.900 9.258 1.00 0.00 H new ATOM 366 N LEU A 23 -2.519 -0.268 5.457 1.00 0.00 N ATOM 367 CA LEU A 23 -2.327 0.829 4.524 1.00 0.00 C ATOM 368 C LEU A 23 -3.514 1.790 4.621 1.00 0.00 C ATOM 369 O LEU A 23 -3.426 2.937 4.186 1.00 0.00 O ATOM 370 CB LEU A 23 -2.084 0.294 3.111 1.00 0.00 C ATOM 371 CG LEU A 23 -1.528 1.298 2.099 1.00 0.00 C ATOM 372 CD1 LEU A 23 -0.213 0.800 1.499 1.00 0.00 C ATOM 373 CD2 LEU A 23 -2.564 1.622 1.021 1.00 0.00 C ATOM 0 H LEU A 23 -2.971 -1.092 5.060 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.434 1.397 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.393 -0.546 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.026 -0.097 2.725 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.310 2.228 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.161 1.532 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.520 0.662 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.381 -0.150 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.143 2.338 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.837 0.709 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.451 2.051 1.486 1.00 0.00 H new ATOM 385 N GLN A 24 -4.596 1.286 5.195 1.00 0.00 N ATOM 386 CA GLN A 24 -5.799 2.086 5.356 1.00 0.00 C ATOM 387 C GLN A 24 -6.039 2.392 6.836 1.00 0.00 C ATOM 388 O GLN A 24 -6.928 3.172 7.175 1.00 0.00 O ATOM 389 CB GLN A 24 -7.010 1.383 4.739 1.00 0.00 C ATOM 390 CG GLN A 24 -7.285 1.904 3.328 1.00 0.00 C ATOM 391 CD GLN A 24 -8.734 1.635 2.917 1.00 0.00 C ATOM 392 OE1 GLN A 24 -9.674 1.927 3.635 1.00 0.00 O ATOM 393 NE2 GLN A 24 -8.860 1.063 1.722 1.00 0.00 N ATOM 0 H GLN A 24 -4.665 0.334 5.554 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.658 3.029 4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.833 0.308 4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.887 1.542 5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.084 2.975 3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.608 1.425 2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.030 0.845 1.171 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.787 0.843 1.357 1.00 0.00 H new ATOM 402 N ARG A 25 -5.230 1.764 7.677 1.00 0.00 N ATOM 403 CA ARG A 25 -5.342 1.960 9.111 1.00 0.00 C ATOM 404 C ARG A 25 -4.108 2.689 9.647 1.00 0.00 C ATOM 405 O ARG A 25 -4.218 3.782 10.198 1.00 0.00 O ATOM 406 CB ARG A 25 -5.493 0.624 9.840 1.00 0.00 C ATOM 407 CG ARG A 25 -6.910 0.458 10.394 1.00 0.00 C ATOM 408 CD ARG A 25 -7.881 0.023 9.294 1.00 0.00 C ATOM 409 NE ARG A 25 -9.072 0.900 9.295 1.00 0.00 N ATOM 410 CZ ARG A 25 -9.931 1.011 10.331 1.00 0.00 C ATOM 411 NH1 ARG A 25 -9.736 0.296 11.460 1.00 0.00 N ATOM 412 NH2 ARG A 25 -10.963 1.824 10.223 1.00 0.00 N ATOM 0 H ARG A 25 -4.494 1.118 7.391 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.231 2.563 9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.268 -0.195 9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.771 0.567 10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.907 -0.282 11.195 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.246 1.399 10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.387 0.067 8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.182 -1.013 9.452 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.256 1.456 8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.936 -0.333 11.534 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.389 0.385 12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.104 2.358 9.366 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.621 1.919 10.997 1.00 0.00 H new ATOM 425 N GLU A 26 -2.959 2.054 9.462 1.00 0.00 N ATOM 426 CA GLU A 26 -1.704 2.628 9.919 1.00 0.00 C ATOM 427 C GLU A 26 -1.393 3.909 9.142 1.00 0.00 C ATOM 428 O GLU A 26 -0.612 4.740 9.599 1.00 0.00 O ATOM 429 CB GLU A 26 -0.562 1.617 9.794 1.00 0.00 C ATOM 430 CG GLU A 26 0.442 2.055 8.724 1.00 0.00 C ATOM 431 CD GLU A 26 1.377 3.140 9.264 1.00 0.00 C ATOM 432 OE1 GLU A 26 1.906 3.945 8.483 1.00 0.00 O ATOM 433 OE2 GLU A 26 1.547 3.129 10.542 1.00 0.00 O ATOM 0 H GLU A 26 -2.871 1.148 9.002 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.805 2.883 10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.055 1.515 10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.965 0.637 9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.027 1.196 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.092 2.431 7.851 1.00 0.00 H new ATOM 441 N ILE A 27 -2.019 4.025 7.980 1.00 0.00 N ATOM 442 CA ILE A 27 -1.818 5.189 7.136 1.00 0.00 C ATOM 443 C ILE A 27 -2.688 6.340 7.645 1.00 0.00 C ATOM 444 O ILE A 27 -3.473 6.165 8.576 1.00 0.00 O ATOM 445 CB ILE A 27 -2.065 4.837 5.668 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.960 5.403 4.774 1.00 0.00 C ATOM 447 CG2 ILE A 27 -3.455 5.292 5.220 1.00 0.00 C ATOM 448 CD1 ILE A 27 -1.409 5.454 3.313 1.00 0.00 C ATOM 0 H ILE A 27 -2.666 3.332 7.604 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.782 5.523 7.190 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.035 3.752 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.692 6.404 5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.065 4.787 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.604 5.029 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.213 4.799 5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.540 6.372 5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.605 5.860 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.653 4.448 2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.290 6.090 3.225 1.00 0.00 H new ATOM 460 N LYS A 28 -2.520 7.493 7.013 1.00 0.00 N ATOM 461 CA LYS A 28 -3.280 8.672 7.391 1.00 0.00 C ATOM 462 C LYS A 28 -4.475 8.827 6.448 1.00 0.00 C ATOM 463 O LYS A 28 -4.490 9.720 5.602 1.00 0.00 O ATOM 464 CB LYS A 28 -2.372 9.902 7.439 1.00 0.00 C ATOM 465 CG LYS A 28 -1.642 10.097 6.109 1.00 0.00 C ATOM 466 CD LYS A 28 -0.125 10.082 6.308 1.00 0.00 C ATOM 467 CE LYS A 28 0.452 8.694 6.018 1.00 0.00 C ATOM 468 NZ LYS A 28 0.184 7.775 7.147 1.00 0.00 N ATOM 0 H LYS A 28 -1.868 7.635 6.241 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.680 8.560 8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.965 10.788 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.645 9.791 8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.929 9.308 5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.944 11.043 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.339 10.817 5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.114 10.373 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.012 8.295 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.526 8.768 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.082 7.508 7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.426 8.249 7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.293 6.921 6.794 1.00 0.00 H new ATOM 481 N ASP A 29 -5.446 7.943 6.626 1.00 0.00 N ATOM 482 CA ASP A 29 -6.642 7.971 5.801 1.00 0.00 C ATOM 483 C ASP A 29 -7.672 8.905 6.437 1.00 0.00 C ATOM 484 O ASP A 29 -8.244 9.759 5.759 1.00 0.00 O ATOM 485 CB ASP A 29 -7.269 6.579 5.695 1.00 0.00 C ATOM 486 CG ASP A 29 -8.786 6.536 5.890 1.00 0.00 C ATOM 487 OD1 ASP A 29 -9.546 6.299 4.937 1.00 0.00 O ATOM 488 OD2 ASP A 29 -9.188 6.763 7.094 1.00 0.00 O ATOM 0 H ASP A 29 -5.429 7.204 7.329 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.359 8.317 4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.032 6.164 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.804 5.930 6.437 1.00 0.00 H new ATOM 494 N PRO A 30 -7.886 8.709 7.766 1.00 0.00 N ATOM 495 CA PRO A 30 -8.838 9.524 8.500 1.00 0.00 C ATOM 496 C PRO A 30 -8.274 10.921 8.763 1.00 0.00 C ATOM 497 O PRO A 30 -9.014 11.834 9.127 1.00 0.00 O ATOM 498 CB PRO A 30 -9.118 8.748 9.776 1.00 0.00 C ATOM 499 CG PRO A 30 -7.972 7.762 9.926 1.00 0.00 C ATOM 500 CD PRO A 30 -7.229 7.708 8.601 1.00 0.00 C ATOM 0 HA PRO A 30 -9.760 9.698 7.944 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.173 9.416 10.635 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.074 8.229 9.715 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.302 8.074 10.727 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.350 6.775 10.193 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.171 7.934 8.731 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.291 6.716 8.153 1.00 0.00 H new ATOM 508 N ARG A 31 -6.970 11.046 8.568 1.00 0.00 N ATOM 509 CA ARG A 31 -6.298 12.317 8.778 1.00 0.00 C ATOM 510 C ARG A 31 -6.427 13.198 7.534 1.00 0.00 C ATOM 511 O ARG A 31 -6.793 14.368 7.633 1.00 0.00 O ATOM 512 CB ARG A 31 -4.817 12.111 9.098 1.00 0.00 C ATOM 513 CG ARG A 31 -4.596 10.798 9.852 1.00 0.00 C ATOM 514 CD ARG A 31 -3.190 10.742 10.456 1.00 0.00 C ATOM 515 NE ARG A 31 -3.272 10.784 11.932 1.00 0.00 N ATOM 516 CZ ARG A 31 -3.405 9.692 12.715 1.00 0.00 C ATOM 517 NH1 ARG A 31 -3.473 8.461 12.167 1.00 0.00 N ATOM 518 NH2 ARG A 31 -3.468 9.846 14.025 1.00 0.00 N ATOM 0 H ARG A 31 -6.360 10.287 8.266 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.776 12.808 9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.239 12.105 8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.451 12.945 9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.340 10.699 10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.738 9.957 9.174 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.684 9.830 10.137 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.595 11.580 10.093 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.225 11.696 12.387 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.424 8.350 11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.573 7.641 12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.416 10.780 14.432 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.568 9.031 14.630 1.00 0.00 H new ATOM 531 N LEU A 32 -6.117 12.602 6.392 1.00 0.00 N ATOM 532 CA LEU A 32 -6.193 13.318 5.130 1.00 0.00 C ATOM 533 C LEU A 32 -7.662 13.564 4.776 1.00 0.00 C ATOM 534 O LEU A 32 -7.977 14.485 4.023 1.00 0.00 O ATOM 535 CB LEU A 32 -5.416 12.572 4.043 1.00 0.00 C ATOM 536 CG LEU A 32 -3.907 12.820 4.010 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.344 12.969 5.423 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.189 11.725 3.219 1.00 0.00 C ATOM 0 H LEU A 32 -5.813 11.632 6.314 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.717 14.295 5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.586 11.503 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.831 12.847 3.073 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.727 13.762 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.270 13.144 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.825 13.812 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.535 12.057 5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.118 11.925 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.374 10.758 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.563 11.711 2.195 1.00 0.00 H new ATOM 550 N GLY A 33 -8.521 12.724 5.335 1.00 0.00 N ATOM 551 CA GLY A 33 -9.948 12.840 5.089 1.00 0.00 C ATOM 552 C GLY A 33 -10.340 12.125 3.792 1.00 0.00 C ATOM 553 O GLY A 33 -11.244 12.566 3.085 1.00 0.00 O ATOM 0 H GLY A 33 -8.256 11.961 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.501 12.413 5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.226 13.892 5.027 1.00 0.00 H new ATOM 557 N MET A 34 -9.641 11.034 3.522 1.00 0.00 N ATOM 558 CA MET A 34 -9.903 10.253 2.325 1.00 0.00 C ATOM 559 C MET A 34 -9.871 8.755 2.628 1.00 0.00 C ATOM 560 O MET A 34 -9.418 8.344 3.696 1.00 0.00 O ATOM 561 CB MET A 34 -8.855 10.581 1.261 1.00 0.00 C ATOM 562 CG MET A 34 -9.169 11.911 0.571 1.00 0.00 C ATOM 563 SD MET A 34 -8.659 13.271 1.607 1.00 0.00 S ATOM 564 CE MET A 34 -7.459 14.045 0.536 1.00 0.00 C ATOM 0 H MET A 34 -8.892 10.671 4.112 1.00 0.00 H new ATOM 0 HA MET A 34 -10.897 10.509 1.959 1.00 0.00 H new ATOM 0 HB2 MET A 34 -7.868 10.630 1.721 1.00 0.00 H new ATOM 0 HB3 MET A 34 -8.822 9.782 0.520 1.00 0.00 H new ATOM 0 HG2 MET A 34 -8.656 11.962 -0.389 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.237 11.980 0.365 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.853 14.743 1.113 1.00 0.00 H new ATOM 0 HE2 MET A 34 -6.816 13.281 0.099 1.00 0.00 H new ATOM 0 HE3 MET A 34 -7.975 14.584 -0.259 1.00 0.00 H new ATOM 574 N MET A 35 -10.358 7.978 1.671 1.00 0.00 N ATOM 575 CA MET A 35 -10.390 6.534 1.823 1.00 0.00 C ATOM 576 C MET A 35 -9.489 5.854 0.790 1.00 0.00 C ATOM 577 O MET A 35 -9.978 5.254 -0.167 1.00 0.00 O ATOM 578 CB MET A 35 -11.827 6.035 1.655 1.00 0.00 C ATOM 579 CG MET A 35 -12.076 4.788 2.506 1.00 0.00 C ATOM 580 SD MET A 35 -13.704 4.137 2.172 1.00 0.00 S ATOM 581 CE MET A 35 -13.268 2.532 1.523 1.00 0.00 C ATOM 0 H MET A 35 -10.734 8.322 0.787 1.00 0.00 H new ATOM 0 HA MET A 35 -10.023 6.284 2.818 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.525 6.821 1.942 1.00 0.00 H new ATOM 0 HB3 MET A 35 -12.017 5.808 0.606 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.321 4.032 2.288 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.984 5.035 3.564 1.00 0.00 H new ATOM 0 HE1 MET A 35 -14.175 1.987 1.261 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.649 2.655 0.634 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.714 1.973 2.277 1.00 0.00 H new ATOM 591 N THR A 36 -8.190 5.969 1.017 1.00 0.00 N ATOM 592 CA THR A 36 -7.216 5.374 0.117 1.00 0.00 C ATOM 593 C THR A 36 -7.707 4.008 -0.370 1.00 0.00 C ATOM 594 O THR A 36 -8.550 3.383 0.270 1.00 0.00 O ATOM 595 CB THR A 36 -5.873 5.310 0.850 1.00 0.00 C ATOM 596 OG1 THR A 36 -6.155 4.559 2.028 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.428 6.676 1.375 1.00 0.00 C ATOM 0 H THR A 36 -7.788 6.466 1.812 1.00 0.00 H new ATOM 0 HA THR A 36 -7.085 5.978 -0.781 1.00 0.00 H new ATOM 0 HB THR A 36 -5.111 4.914 0.179 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.338 4.468 2.561 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.471 6.575 1.886 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.323 7.370 0.541 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.173 7.058 2.073 1.00 0.00 H new ATOM 605 N THR A 37 -7.157 3.588 -1.501 1.00 0.00 N ATOM 606 CA THR A 37 -7.530 2.310 -2.083 1.00 0.00 C ATOM 607 C THR A 37 -6.291 1.587 -2.616 1.00 0.00 C ATOM 608 O THR A 37 -5.232 2.194 -2.770 1.00 0.00 O ATOM 609 CB THR A 37 -8.591 2.568 -3.152 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.807 2.677 -2.417 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.813 1.358 -4.062 1.00 0.00 C ATOM 0 H THR A 37 -6.457 4.110 -2.029 1.00 0.00 H new ATOM 0 HA THR A 37 -7.960 1.644 -1.335 1.00 0.00 H new ATOM 0 HB THR A 37 -8.295 3.426 -3.755 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.549 2.847 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.576 1.595 -4.803 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.881 1.108 -4.569 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.140 0.508 -3.464 1.00 0.00 H new ATOM 619 N VAL A 38 -6.465 0.302 -2.885 1.00 0.00 N ATOM 620 CA VAL A 38 -5.376 -0.510 -3.399 1.00 0.00 C ATOM 621 C VAL A 38 -5.811 -1.171 -4.710 1.00 0.00 C ATOM 622 O VAL A 38 -6.248 -2.320 -4.714 1.00 0.00 O ATOM 623 CB VAL A 38 -4.930 -1.521 -2.340 1.00 0.00 C ATOM 624 CG1 VAL A 38 -3.926 -2.518 -2.922 1.00 0.00 C ATOM 625 CG2 VAL A 38 -4.351 -0.811 -1.115 1.00 0.00 C ATOM 0 H VAL A 38 -7.345 -0.197 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.509 0.113 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.809 -2.080 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.625 -3.225 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.387 -3.059 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.049 -1.982 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.042 -1.552 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.489 -0.215 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.109 -0.160 -0.680 1.00 0.00 H new ATOM 635 N SER A 39 -5.675 -0.415 -5.790 1.00 0.00 N ATOM 636 CA SER A 39 -6.049 -0.913 -7.103 1.00 0.00 C ATOM 637 C SER A 39 -4.850 -1.595 -7.764 1.00 0.00 C ATOM 638 O SER A 39 -4.798 -1.717 -8.988 1.00 0.00 O ATOM 639 CB SER A 39 -6.574 0.218 -7.991 1.00 0.00 C ATOM 640 OG SER A 39 -7.870 -0.069 -8.508 1.00 0.00 O ATOM 0 H SER A 39 -5.311 0.538 -5.783 1.00 0.00 H new ATOM 0 HA SER A 39 -6.850 -1.642 -6.978 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.609 1.144 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.882 0.382 -8.817 1.00 0.00 H new ATOM 0 HG SER A 39 -8.171 0.677 -9.068 1.00 0.00 H new ATOM 646 N GLY A 40 -3.916 -2.022 -6.928 1.00 0.00 N ATOM 647 CA GLY A 40 -2.720 -2.687 -7.416 1.00 0.00 C ATOM 648 C GLY A 40 -1.896 -3.254 -6.258 1.00 0.00 C ATOM 649 O GLY A 40 -1.711 -2.590 -5.240 1.00 0.00 O ATOM 0 H GLY A 40 -3.963 -1.920 -5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.999 -3.492 -8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.115 -1.982 -7.987 1.00 0.00 H new ATOM 653 N VAL A 41 -1.424 -4.477 -6.453 1.00 0.00 N ATOM 654 CA VAL A 41 -0.624 -5.140 -5.438 1.00 0.00 C ATOM 655 C VAL A 41 0.331 -6.128 -6.112 1.00 0.00 C ATOM 656 O VAL A 41 -0.068 -6.865 -7.013 1.00 0.00 O ATOM 657 CB VAL A 41 -1.536 -5.801 -4.403 1.00 0.00 C ATOM 658 CG1 VAL A 41 -2.488 -6.798 -5.067 1.00 0.00 C ATOM 659 CG2 VAL A 41 -0.716 -6.478 -3.301 1.00 0.00 C ATOM 0 H VAL A 41 -1.580 -5.025 -7.299 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.014 -4.415 -4.899 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.138 -5.019 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.125 -7.253 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.108 -6.278 -5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.910 -7.574 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.389 -6.940 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.076 -7.243 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.099 -5.734 -2.798 1.00 0.00 H new ATOM 669 N GLU A 42 1.572 -6.112 -5.648 1.00 0.00 N ATOM 670 CA GLU A 42 2.586 -6.998 -6.196 1.00 0.00 C ATOM 671 C GLU A 42 3.592 -7.386 -5.110 1.00 0.00 C ATOM 672 O GLU A 42 4.054 -6.534 -4.353 1.00 0.00 O ATOM 673 CB GLU A 42 3.289 -6.353 -7.392 1.00 0.00 C ATOM 674 CG GLU A 42 2.275 -5.890 -8.440 1.00 0.00 C ATOM 675 CD GLU A 42 2.973 -5.175 -9.597 1.00 0.00 C ATOM 676 OE1 GLU A 42 4.134 -5.480 -9.907 1.00 0.00 O ATOM 677 OE2 GLU A 42 2.264 -4.271 -10.185 1.00 0.00 O ATOM 0 H GLU A 42 1.898 -5.500 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 42 2.097 -7.905 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.882 -5.503 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.980 -7.067 -7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.721 -6.748 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.549 -5.220 -7.978 1.00 0.00 H new ATOM 685 N MET A 43 3.904 -8.673 -5.070 1.00 0.00 N ATOM 686 CA MET A 43 4.849 -9.183 -4.091 1.00 0.00 C ATOM 687 C MET A 43 5.860 -10.128 -4.745 1.00 0.00 C ATOM 688 O MET A 43 5.516 -11.245 -5.126 1.00 0.00 O ATOM 689 CB MET A 43 4.090 -9.931 -2.992 1.00 0.00 C ATOM 690 CG MET A 43 2.728 -9.284 -2.730 1.00 0.00 C ATOM 691 SD MET A 43 1.449 -10.186 -3.587 1.00 0.00 S ATOM 692 CE MET A 43 0.012 -9.601 -2.706 1.00 0.00 C ATOM 0 H MET A 43 3.519 -9.378 -5.699 1.00 0.00 H new ATOM 0 HA MET A 43 5.391 -8.340 -3.663 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.952 -10.972 -3.284 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.679 -9.932 -2.075 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.522 -9.272 -1.660 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.739 -8.246 -3.064 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.854 -9.621 -3.368 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.174 -10.244 -1.846 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.185 -8.580 -2.365 1.00 0.00 H new ATOM 702 N SER A 44 7.088 -9.642 -4.854 1.00 0.00 N ATOM 703 CA SER A 44 8.153 -10.429 -5.454 1.00 0.00 C ATOM 704 C SER A 44 9.095 -10.950 -4.368 1.00 0.00 C ATOM 705 O SER A 44 9.872 -10.186 -3.797 1.00 0.00 O ATOM 706 CB SER A 44 8.931 -9.606 -6.484 1.00 0.00 C ATOM 707 OG SER A 44 8.907 -10.208 -7.775 1.00 0.00 O ATOM 0 H SER A 44 7.369 -8.714 -4.537 1.00 0.00 H new ATOM 0 HA SER A 44 7.703 -11.277 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.506 -8.604 -6.543 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.964 -9.495 -6.154 1.00 0.00 H new ATOM 0 HG SER A 44 9.413 -9.652 -8.404 1.00 0.00 H new ATOM 713 N ARG A 45 8.997 -12.247 -4.116 1.00 0.00 N ATOM 714 CA ARG A 45 9.832 -12.878 -3.108 1.00 0.00 C ATOM 715 C ARG A 45 10.994 -13.621 -3.771 1.00 0.00 C ATOM 716 O ARG A 45 11.864 -14.156 -3.087 1.00 0.00 O ATOM 717 CB ARG A 45 9.023 -13.863 -2.261 1.00 0.00 C ATOM 718 CG ARG A 45 8.316 -13.144 -1.111 1.00 0.00 C ATOM 719 CD ARG A 45 6.796 -13.252 -1.249 1.00 0.00 C ATOM 720 NE ARG A 45 6.405 -14.666 -1.447 1.00 0.00 N ATOM 721 CZ ARG A 45 5.127 -15.092 -1.539 1.00 0.00 C ATOM 722 NH1 ARG A 45 4.105 -14.216 -1.449 1.00 0.00 N ATOM 723 NH2 ARG A 45 4.893 -16.379 -1.719 1.00 0.00 N ATOM 0 H ARG A 45 8.352 -12.878 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 45 10.221 -12.093 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.287 -14.367 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.683 -14.633 -1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.630 -13.575 -0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.610 -12.094 -1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.312 -12.854 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.455 -12.650 -2.092 1.00 0.00 H new ATOM 0 HE ARG A 45 7.147 -15.362 -1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.295 -13.223 -1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.143 -14.546 -1.520 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.672 -17.034 -1.786 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.934 -16.718 -1.791 1.00 0.00 H new ATOM 736 N ASP A 46 10.970 -13.630 -5.095 1.00 0.00 N ATOM 737 CA ASP A 46 12.009 -14.298 -5.859 1.00 0.00 C ATOM 738 C ASP A 46 13.379 -13.839 -5.356 1.00 0.00 C ATOM 739 O ASP A 46 14.377 -14.537 -5.534 1.00 0.00 O ATOM 740 CB ASP A 46 11.912 -13.951 -7.346 1.00 0.00 C ATOM 741 CG ASP A 46 10.882 -14.764 -8.133 1.00 0.00 C ATOM 742 OD1 ASP A 46 10.093 -15.526 -7.556 1.00 0.00 O ATOM 743 OD2 ASP A 46 10.910 -14.587 -9.411 1.00 0.00 O ATOM 0 H ASP A 46 10.246 -13.185 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 46 11.882 -15.373 -5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.668 -12.893 -7.442 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.892 -14.095 -7.802 1.00 0.00 H new ATOM 749 N LEU A 47 13.386 -12.668 -4.736 1.00 0.00 N ATOM 750 CA LEU A 47 14.617 -12.109 -4.206 1.00 0.00 C ATOM 751 C LEU A 47 14.308 -11.331 -2.924 1.00 0.00 C ATOM 752 O LEU A 47 14.731 -11.724 -1.838 1.00 0.00 O ATOM 753 CB LEU A 47 15.330 -11.276 -5.273 1.00 0.00 C ATOM 754 CG LEU A 47 16.477 -11.971 -6.010 1.00 0.00 C ATOM 755 CD1 LEU A 47 16.418 -11.681 -7.512 1.00 0.00 C ATOM 756 CD2 LEU A 47 17.829 -11.591 -5.405 1.00 0.00 C ATOM 0 H LEU A 47 12.558 -12.091 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 47 15.312 -12.905 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.592 -10.956 -6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.721 -10.375 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 47 16.361 -13.048 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.244 -12.186 -8.013 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.473 -12.043 -7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.496 -10.607 -7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.626 -12.099 -5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.970 -10.513 -5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.856 -11.890 -4.357 1.00 0.00 H new ATOM 768 N ALA A 48 13.573 -10.241 -3.094 1.00 0.00 N ATOM 769 CA ALA A 48 13.202 -9.406 -1.964 1.00 0.00 C ATOM 770 C ALA A 48 12.729 -8.044 -2.477 1.00 0.00 C ATOM 771 O ALA A 48 13.318 -7.014 -2.151 1.00 0.00 O ATOM 772 CB ALA A 48 14.389 -9.287 -1.006 1.00 0.00 C ATOM 0 H ALA A 48 13.225 -9.917 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 48 12.378 -9.855 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.111 -8.661 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.669 -10.278 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.234 -8.837 -1.528 1.00 0.00 H new ATOM 778 N TYR A 49 11.669 -8.083 -3.272 1.00 0.00 N ATOM 779 CA TYR A 49 11.110 -6.864 -3.834 1.00 0.00 C ATOM 780 C TYR A 49 9.592 -6.976 -3.983 1.00 0.00 C ATOM 781 O TYR A 49 9.089 -7.955 -4.532 1.00 0.00 O ATOM 782 CB TYR A 49 11.738 -6.712 -5.220 1.00 0.00 C ATOM 783 CG TYR A 49 13.201 -7.154 -5.293 1.00 0.00 C ATOM 784 CD1 TYR A 49 14.146 -6.546 -4.492 1.00 0.00 C ATOM 785 CD2 TYR A 49 13.576 -8.159 -6.161 1.00 0.00 C ATOM 786 CE1 TYR A 49 15.523 -6.962 -4.560 1.00 0.00 C ATOM 787 CE2 TYR A 49 14.953 -8.575 -6.229 1.00 0.00 C ATOM 788 CZ TYR A 49 15.858 -7.955 -5.427 1.00 0.00 C ATOM 789 OH TYR A 49 17.158 -8.348 -5.491 1.00 0.00 O ATOM 0 H TYR A 49 11.183 -8.939 -3.540 1.00 0.00 H new ATOM 0 HA TYR A 49 11.317 -6.012 -3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.157 -7.293 -5.936 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.669 -5.668 -5.526 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.853 -5.758 -3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.837 -8.634 -6.789 1.00 0.00 H new ATOM 0 HE1 TYR A 49 16.272 -6.496 -3.937 1.00 0.00 H new ATOM 0 HE2 TYR A 49 15.260 -9.362 -6.902 1.00 0.00 H new ATOM 0 HH TYR A 49 17.583 -8.217 -4.618 1.00 0.00 H new ATOM 799 N ALA A 50 8.903 -5.959 -3.484 1.00 0.00 N ATOM 800 CA ALA A 50 7.452 -5.932 -3.556 1.00 0.00 C ATOM 801 C ALA A 50 6.992 -4.525 -3.947 1.00 0.00 C ATOM 802 O ALA A 50 7.711 -3.551 -3.729 1.00 0.00 O ATOM 803 CB ALA A 50 6.866 -6.387 -2.218 1.00 0.00 C ATOM 0 H ALA A 50 9.323 -5.149 -3.029 1.00 0.00 H new ATOM 0 HA ALA A 50 7.092 -6.621 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.778 -6.367 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.200 -7.402 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.203 -5.717 -1.427 1.00 0.00 H new ATOM 809 N LYS A 51 5.797 -4.465 -4.515 1.00 0.00 N ATOM 810 CA LYS A 51 5.232 -3.194 -4.937 1.00 0.00 C ATOM 811 C LYS A 51 3.731 -3.187 -4.646 1.00 0.00 C ATOM 812 O LYS A 51 2.972 -3.932 -5.264 1.00 0.00 O ATOM 813 CB LYS A 51 5.577 -2.916 -6.402 1.00 0.00 C ATOM 814 CG LYS A 51 6.627 -3.903 -6.915 1.00 0.00 C ATOM 815 CD LYS A 51 7.028 -3.576 -8.356 1.00 0.00 C ATOM 816 CE LYS A 51 8.546 -3.445 -8.486 1.00 0.00 C ATOM 817 NZ LYS A 51 8.900 -2.185 -9.177 1.00 0.00 N ATOM 0 H LYS A 51 5.204 -5.276 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 51 5.670 -2.373 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.676 -2.988 -7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.950 -1.897 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.507 -3.870 -6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.233 -4.918 -6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.668 -4.359 -9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.551 -2.647 -8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.005 -3.466 -7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.944 -4.295 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.934 -2.112 -9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.478 -2.180 -10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.537 -1.377 -8.633 1.00 0.00 H new ATOM 830 N VAL A 52 3.347 -2.337 -3.705 1.00 0.00 N ATOM 831 CA VAL A 52 1.950 -2.223 -3.325 1.00 0.00 C ATOM 832 C VAL A 52 1.403 -0.876 -3.804 1.00 0.00 C ATOM 833 O VAL A 52 1.940 0.174 -3.457 1.00 0.00 O ATOM 834 CB VAL A 52 1.798 -2.425 -1.816 1.00 0.00 C ATOM 835 CG1 VAL A 52 2.082 -1.128 -1.058 1.00 0.00 C ATOM 836 CG2 VAL A 52 0.411 -2.970 -1.471 1.00 0.00 C ATOM 0 H VAL A 52 3.980 -1.721 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 52 1.361 -3.004 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 52 2.535 -3.165 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.967 -1.299 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.101 -0.801 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.381 -0.358 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.331 -3.104 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.350 -2.266 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.263 -3.929 -1.968 1.00 0.00 H new ATOM 846 N TYR A 53 0.343 -0.951 -4.597 1.00 0.00 N ATOM 847 CA TYR A 53 -0.281 0.247 -5.127 1.00 0.00 C ATOM 848 C TYR A 53 -1.232 0.872 -4.102 1.00 0.00 C ATOM 849 O TYR A 53 -1.812 0.165 -3.280 1.00 0.00 O ATOM 850 CB TYR A 53 -1.089 -0.200 -6.346 1.00 0.00 C ATOM 851 CG TYR A 53 -0.974 0.736 -7.549 1.00 0.00 C ATOM 852 CD1 TYR A 53 0.257 1.244 -7.913 1.00 0.00 C ATOM 853 CD2 TYR A 53 -2.099 1.075 -8.271 1.00 0.00 C ATOM 854 CE1 TYR A 53 0.367 2.126 -9.045 1.00 0.00 C ATOM 855 CE2 TYR A 53 -1.990 1.958 -9.404 1.00 0.00 C ATOM 856 CZ TYR A 53 -0.762 2.439 -9.735 1.00 0.00 C ATOM 857 OH TYR A 53 -0.659 3.272 -10.805 1.00 0.00 O ATOM 0 H TYR A 53 -0.098 -1.824 -4.884 1.00 0.00 H new ATOM 0 HA TYR A 53 0.474 0.992 -5.376 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.759 -1.196 -6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.138 -0.283 -6.063 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.138 0.979 -7.348 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.062 0.678 -7.987 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.324 2.530 -9.340 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.863 2.232 -9.977 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.530 3.684 -10.984 1.00 0.00 H new ATOM 867 N VAL A 54 -1.359 2.187 -4.186 1.00 0.00 N ATOM 868 CA VAL A 54 -2.229 2.914 -3.275 1.00 0.00 C ATOM 869 C VAL A 54 -2.730 4.185 -3.962 1.00 0.00 C ATOM 870 O VAL A 54 -1.936 5.040 -4.349 1.00 0.00 O ATOM 871 CB VAL A 54 -1.495 3.193 -1.962 1.00 0.00 C ATOM 872 CG1 VAL A 54 -0.865 1.916 -1.404 1.00 0.00 C ATOM 873 CG2 VAL A 54 -0.444 4.288 -2.143 1.00 0.00 C ATOM 0 H VAL A 54 -0.875 2.769 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.104 2.315 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.228 3.549 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.350 2.142 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.644 1.177 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.151 1.517 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.063 4.466 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.285 3.973 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.929 5.207 -2.474 1.00 0.00 H new ATOM 883 N THR A 55 -4.046 4.269 -4.092 1.00 0.00 N ATOM 884 CA THR A 55 -4.664 5.423 -4.725 1.00 0.00 C ATOM 885 C THR A 55 -5.410 6.264 -3.688 1.00 0.00 C ATOM 886 O THR A 55 -6.193 5.736 -2.901 1.00 0.00 O ATOM 887 CB THR A 55 -5.560 4.918 -5.857 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.625 5.862 -5.903 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.248 3.595 -5.512 1.00 0.00 C ATOM 0 H THR A 55 -4.702 3.557 -3.770 1.00 0.00 H new ATOM 0 HA THR A 55 -3.914 6.086 -5.156 1.00 0.00 H new ATOM 0 HB THR A 55 -4.966 4.793 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.394 5.465 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.872 3.280 -6.349 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.494 2.833 -5.315 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.869 3.728 -4.626 1.00 0.00 H new ATOM 897 N PHE A 56 -5.140 7.562 -3.722 1.00 0.00 N ATOM 898 CA PHE A 56 -5.776 8.482 -2.794 1.00 0.00 C ATOM 899 C PHE A 56 -6.596 9.535 -3.541 1.00 0.00 C ATOM 900 O PHE A 56 -6.499 9.650 -4.763 1.00 0.00 O ATOM 901 CB PHE A 56 -4.658 9.180 -2.019 1.00 0.00 C ATOM 902 CG PHE A 56 -3.568 8.234 -1.508 1.00 0.00 C ATOM 903 CD1 PHE A 56 -3.898 6.983 -1.088 1.00 0.00 C ATOM 904 CD2 PHE A 56 -2.273 8.643 -1.474 1.00 0.00 C ATOM 905 CE1 PHE A 56 -2.889 6.104 -0.614 1.00 0.00 C ATOM 906 CE2 PHE A 56 -1.262 7.764 -1.001 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.592 6.514 -0.580 1.00 0.00 C ATOM 0 H PHE A 56 -4.490 7.997 -4.377 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.450 7.937 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.200 9.932 -2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.093 9.708 -1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.928 6.658 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.012 9.637 -1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.151 5.111 -0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.232 8.088 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.824 5.846 -0.218 1.00 0.00 H new ATOM 917 N LEU A 57 -7.384 10.278 -2.778 1.00 0.00 N ATOM 918 CA LEU A 57 -8.221 11.316 -3.355 1.00 0.00 C ATOM 919 C LEU A 57 -7.668 12.687 -2.958 1.00 0.00 C ATOM 920 O LEU A 57 -8.416 13.661 -2.874 1.00 0.00 O ATOM 921 CB LEU A 57 -9.684 11.107 -2.962 1.00 0.00 C ATOM 922 CG LEU A 57 -10.715 11.912 -3.756 1.00 0.00 C ATOM 923 CD1 LEU A 57 -11.046 11.221 -5.081 1.00 0.00 C ATOM 924 CD2 LEU A 57 -11.968 12.176 -2.918 1.00 0.00 C ATOM 0 H LEU A 57 -7.461 10.182 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.198 11.263 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.920 10.048 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.795 11.354 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.280 12.882 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.781 11.813 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.139 11.127 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.454 10.230 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.685 12.750 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.416 11.227 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.697 12.740 -2.026 1.00 0.00 H new ATOM 936 N ASN A 58 -6.365 12.719 -2.725 1.00 0.00 N ATOM 937 CA ASN A 58 -5.703 13.955 -2.340 1.00 0.00 C ATOM 938 C ASN A 58 -5.638 14.891 -3.547 1.00 0.00 C ATOM 939 O ASN A 58 -5.636 16.112 -3.391 1.00 0.00 O ATOM 940 CB ASN A 58 -4.271 13.689 -1.869 1.00 0.00 C ATOM 941 CG ASN A 58 -4.171 13.781 -0.345 1.00 0.00 C ATOM 942 OD1 ASN A 58 -3.600 12.929 0.318 1.00 0.00 O ATOM 943 ND2 ASN A 58 -4.752 14.859 0.172 1.00 0.00 N ATOM 0 H ASN A 58 -5.749 11.909 -2.795 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.273 14.404 -1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.953 12.700 -2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.594 14.410 -2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.737 15.012 1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.213 15.533 -0.440 1.00 0.00 H new ATOM 950 N ASP A 59 -5.587 14.286 -4.724 1.00 0.00 N ATOM 951 CA ASP A 59 -5.522 15.051 -5.958 1.00 0.00 C ATOM 952 C ASP A 59 -6.434 16.275 -5.843 1.00 0.00 C ATOM 953 O ASP A 59 -6.055 17.374 -6.239 1.00 0.00 O ATOM 954 CB ASP A 59 -5.998 14.217 -7.148 1.00 0.00 C ATOM 955 CG ASP A 59 -6.442 15.027 -8.368 1.00 0.00 C ATOM 956 OD1 ASP A 59 -5.611 15.496 -9.160 1.00 0.00 O ATOM 957 OD2 ASP A 59 -7.718 15.169 -8.494 1.00 0.00 O ATOM 0 H ASP A 59 -5.589 13.274 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.485 15.347 -6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.192 13.547 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.829 13.591 -6.824 1.00 0.00 H new ATOM 963 N LYS A 60 -7.619 16.041 -5.297 1.00 0.00 N ATOM 964 CA LYS A 60 -8.588 17.109 -5.126 1.00 0.00 C ATOM 965 C LYS A 60 -7.857 18.396 -4.735 1.00 0.00 C ATOM 966 O LYS A 60 -8.160 19.469 -5.254 1.00 0.00 O ATOM 967 CB LYS A 60 -9.675 16.693 -4.132 1.00 0.00 C ATOM 968 CG LYS A 60 -10.889 16.112 -4.860 1.00 0.00 C ATOM 969 CD LYS A 60 -12.192 16.555 -4.191 1.00 0.00 C ATOM 970 CE LYS A 60 -13.011 15.346 -3.734 1.00 0.00 C ATOM 971 NZ LYS A 60 -14.325 15.780 -3.209 1.00 0.00 N ATOM 0 H LYS A 60 -7.929 15.127 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.106 17.308 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.275 15.954 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.980 17.555 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.882 16.435 -5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.829 15.024 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.968 17.192 -3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.778 17.153 -4.888 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.155 14.660 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.467 14.801 -2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.869 14.948 -2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.182 16.417 -2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.849 16.281 -3.955 1.00 0.00 H new ATOM 984 N ASP A 61 -6.909 18.245 -3.820 1.00 0.00 N ATOM 985 CA ASP A 61 -6.133 19.382 -3.353 1.00 0.00 C ATOM 986 C ASP A 61 -4.642 19.063 -3.482 1.00 0.00 C ATOM 987 O ASP A 61 -4.145 18.136 -2.846 1.00 0.00 O ATOM 988 CB ASP A 61 -6.426 19.682 -1.882 1.00 0.00 C ATOM 989 CG ASP A 61 -7.795 19.210 -1.387 1.00 0.00 C ATOM 990 OD1 ASP A 61 -7.953 18.064 -0.938 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.738 20.086 -1.477 1.00 0.00 O ATOM 0 H ASP A 61 -6.661 17.354 -3.390 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.404 20.247 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.654 19.215 -1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.350 20.758 -1.724 1.00 0.00 H new ATOM 997 N GLU A 62 -3.971 19.849 -4.311 1.00 0.00 N ATOM 998 CA GLU A 62 -2.547 19.662 -4.533 1.00 0.00 C ATOM 999 C GLU A 62 -1.766 19.981 -3.256 1.00 0.00 C ATOM 1000 O GLU A 62 -0.628 19.546 -3.097 1.00 0.00 O ATOM 1001 CB GLU A 62 -2.057 20.518 -5.702 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.799 19.916 -6.332 1.00 0.00 C ATOM 1003 CD GLU A 62 -0.261 20.815 -7.448 1.00 0.00 C ATOM 1004 OE1 GLU A 62 0.306 21.880 -7.165 1.00 0.00 O ATOM 1005 OE2 GLU A 62 -0.446 20.370 -8.644 1.00 0.00 O ATOM 0 H GLU A 62 -4.387 20.617 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.373 18.618 -4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.842 20.597 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.846 21.529 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.034 19.782 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.026 18.928 -6.733 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.410 20.737 -2.380 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.790 21.119 -1.121 1.00 0.00 C ATOM 1015 C ASP A 63 -1.727 19.900 -0.199 1.00 0.00 C ATOM 1016 O ASP A 63 -0.708 19.658 0.447 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.602 22.206 -0.414 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.792 23.415 0.056 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -1.464 24.310 -0.736 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -1.492 23.417 1.310 1.00 0.00 O ATOM 0 H ASP A 63 -3.355 21.096 -2.516 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.792 21.499 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.384 22.552 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.100 21.763 0.449 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.827 19.163 -0.168 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.910 17.976 0.666 1.00 0.00 C ATOM 1028 C ALA A 64 -2.206 16.814 -0.041 1.00 0.00 C ATOM 1029 O ALA A 64 -1.831 15.831 0.598 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.377 17.668 0.974 1.00 0.00 C ATOM 0 H ALA A 64 -3.669 19.365 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.406 18.139 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.438 16.777 1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.823 18.512 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.916 17.495 0.042 1.00 0.00 H new ATOM 1036 N VAL A 65 -2.051 16.964 -1.347 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.400 15.940 -2.146 1.00 0.00 C ATOM 1038 C VAL A 65 0.109 15.993 -1.903 1.00 0.00 C ATOM 1039 O VAL A 65 0.764 14.955 -1.812 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.774 16.109 -3.621 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.610 16.698 -4.419 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.237 14.781 -4.222 1.00 0.00 C ATOM 0 H VAL A 65 -2.365 17.780 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.743 14.949 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.606 16.811 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.903 16.807 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.347 17.674 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.251 16.033 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.497 14.927 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.434 14.048 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.110 14.420 -3.678 1.00 0.00 H new ATOM 1052 N LYS A 66 0.618 17.212 -1.807 1.00 0.00 N ATOM 1053 CA LYS A 66 2.040 17.414 -1.577 1.00 0.00 C ATOM 1054 C LYS A 66 2.361 17.119 -0.110 1.00 0.00 C ATOM 1055 O LYS A 66 3.260 16.334 0.185 1.00 0.00 O ATOM 1056 CB LYS A 66 2.462 18.813 -2.029 1.00 0.00 C ATOM 1057 CG LYS A 66 3.600 18.739 -3.049 1.00 0.00 C ATOM 1058 CD LYS A 66 3.057 18.529 -4.463 1.00 0.00 C ATOM 1059 CE LYS A 66 3.259 19.782 -5.319 1.00 0.00 C ATOM 1060 NZ LYS A 66 3.659 19.410 -6.695 1.00 0.00 N ATOM 0 H LYS A 66 0.072 18.070 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 66 2.626 16.719 -2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.609 19.330 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.780 19.398 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.185 19.658 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.273 17.922 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.561 17.681 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.996 18.283 -4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.337 20.364 -5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.023 20.417 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.792 20.271 -7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.550 18.874 -6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.916 18.823 -7.126 1.00 0.00 H new ATOM 1073 N ALA A 67 1.609 17.763 0.769 1.00 0.00 N ATOM 1074 CA ALA A 67 1.803 17.580 2.197 1.00 0.00 C ATOM 1075 C ALA A 67 1.456 16.137 2.573 1.00 0.00 C ATOM 1076 O ALA A 67 2.224 15.470 3.263 1.00 0.00 O ATOM 1077 CB ALA A 67 0.961 18.601 2.963 1.00 0.00 C ATOM 0 H ALA A 67 0.863 18.413 0.520 1.00 0.00 H new ATOM 0 HA ALA A 67 2.845 17.750 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.107 18.463 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.267 19.609 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.092 18.460 2.719 1.00 0.00 H new ATOM 1083 N GLY A 68 0.296 15.700 2.104 1.00 0.00 N ATOM 1084 CA GLY A 68 -0.161 14.350 2.381 1.00 0.00 C ATOM 1085 C GLY A 68 0.871 13.316 1.928 1.00 0.00 C ATOM 1086 O GLY A 68 1.387 12.551 2.741 1.00 0.00 O ATOM 0 H GLY A 68 -0.340 16.257 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.348 14.238 3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.108 14.171 1.871 1.00 0.00 H new ATOM 1090 N ILE A 69 1.140 13.325 0.631 1.00 0.00 N ATOM 1091 CA ILE A 69 2.102 12.398 0.060 1.00 0.00 C ATOM 1092 C ILE A 69 3.428 12.513 0.818 1.00 0.00 C ATOM 1093 O ILE A 69 4.136 11.522 0.989 1.00 0.00 O ATOM 1094 CB ILE A 69 2.235 12.624 -1.448 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.717 11.354 -2.151 1.00 0.00 C ATOM 1096 CG2 ILE A 69 3.137 13.823 -1.745 1.00 0.00 C ATOM 1097 CD1 ILE A 69 1.911 11.093 -3.425 1.00 0.00 C ATOM 0 H ILE A 69 0.709 13.960 -0.041 1.00 0.00 H new ATOM 0 HA ILE A 69 1.755 11.371 0.176 1.00 0.00 H new ATOM 0 HB ILE A 69 1.248 12.858 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.774 11.450 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.624 10.503 -1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.215 13.962 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.711 14.719 -1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.129 13.644 -1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.274 10.184 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.858 10.973 -3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.026 11.935 -4.107 1.00 0.00 H new ATOM 1109 N LYS A 70 3.721 13.731 1.250 1.00 0.00 N ATOM 1110 CA LYS A 70 4.949 13.988 1.986 1.00 0.00 C ATOM 1111 C LYS A 70 4.917 13.214 3.306 1.00 0.00 C ATOM 1112 O LYS A 70 5.950 12.734 3.771 1.00 0.00 O ATOM 1113 CB LYS A 70 5.164 15.492 2.158 1.00 0.00 C ATOM 1114 CG LYS A 70 6.369 15.774 3.057 1.00 0.00 C ATOM 1115 CD LYS A 70 5.968 16.625 4.262 1.00 0.00 C ATOM 1116 CE LYS A 70 6.956 17.774 4.475 1.00 0.00 C ATOM 1117 NZ LYS A 70 6.319 19.072 4.153 1.00 0.00 N ATOM 0 H LYS A 70 3.131 14.550 1.105 1.00 0.00 H new ATOM 0 HA LYS A 70 5.813 13.629 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.317 15.955 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.271 15.944 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.800 14.833 3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.141 16.289 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.966 17.026 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.931 16.002 5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.301 17.778 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.834 17.627 3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.003 19.841 4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.012 19.071 3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.495 19.217 4.770 1.00 0.00 H new ATOM 1130 N ALA A 71 3.723 13.120 3.872 1.00 0.00 N ATOM 1131 CA ALA A 71 3.546 12.414 5.129 1.00 0.00 C ATOM 1132 C ALA A 71 3.684 10.910 4.889 1.00 0.00 C ATOM 1133 O ALA A 71 4.282 10.201 5.697 1.00 0.00 O ATOM 1134 CB ALA A 71 2.190 12.785 5.735 1.00 0.00 C ATOM 0 H ALA A 71 2.869 13.521 3.483 1.00 0.00 H new ATOM 0 HA ALA A 71 4.315 12.705 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.056 12.256 6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.153 13.860 5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.394 12.504 5.045 1.00 0.00 H new ATOM 1140 N LEU A 72 3.123 10.466 3.774 1.00 0.00 N ATOM 1141 CA LEU A 72 3.178 9.059 3.417 1.00 0.00 C ATOM 1142 C LEU A 72 4.597 8.705 2.972 1.00 0.00 C ATOM 1143 O LEU A 72 4.975 7.533 2.964 1.00 0.00 O ATOM 1144 CB LEU A 72 2.106 8.728 2.375 1.00 0.00 C ATOM 1145 CG LEU A 72 1.159 7.581 2.728 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -0.294 7.956 2.427 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.575 6.289 2.020 1.00 0.00 C ATOM 0 H LEU A 72 2.628 11.056 3.106 1.00 0.00 H new ATOM 0 HA LEU A 72 2.951 8.437 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.510 9.624 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.603 8.486 1.436 1.00 0.00 H new ATOM 0 HG LEU A 72 1.229 7.399 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.946 7.122 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.573 8.832 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.399 8.181 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.885 5.489 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.552 6.442 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.585 6.015 2.326 1.00 0.00 H new ATOM 1159 N GLN A 73 5.347 9.737 2.613 1.00 0.00 N ATOM 1160 CA GLN A 73 6.717 9.549 2.168 1.00 0.00 C ATOM 1161 C GLN A 73 7.637 9.318 3.367 1.00 0.00 C ATOM 1162 O GLN A 73 8.444 8.390 3.366 1.00 0.00 O ATOM 1163 CB GLN A 73 7.191 10.741 1.335 1.00 0.00 C ATOM 1164 CG GLN A 73 7.858 10.275 0.039 1.00 0.00 C ATOM 1165 CD GLN A 73 9.330 10.689 0.000 1.00 0.00 C ATOM 1166 OE1 GLN A 73 10.106 10.403 0.898 1.00 0.00 O ATOM 1167 NE2 GLN A 73 9.670 11.374 -1.087 1.00 0.00 N ATOM 0 H GLN A 73 5.031 10.707 2.621 1.00 0.00 H new ATOM 0 HA GLN A 73 6.754 8.665 1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.344 11.385 1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.894 11.338 1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.779 9.191 -0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.334 10.700 -0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.970 11.579 -1.800 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.631 11.695 -1.208 1.00 0.00 H new ATOM 1176 N GLU A 74 7.486 10.178 4.364 1.00 0.00 N ATOM 1177 CA GLU A 74 8.294 10.080 5.567 1.00 0.00 C ATOM 1178 C GLU A 74 7.911 8.829 6.362 1.00 0.00 C ATOM 1179 O GLU A 74 8.751 8.242 7.043 1.00 0.00 O ATOM 1180 CB GLU A 74 8.153 11.338 6.427 1.00 0.00 C ATOM 1181 CG GLU A 74 6.696 11.565 6.833 1.00 0.00 C ATOM 1182 CD GLU A 74 6.602 12.090 8.267 1.00 0.00 C ATOM 1183 OE1 GLU A 74 7.572 11.980 9.032 1.00 0.00 O ATOM 1184 OE2 GLU A 74 5.473 12.629 8.578 1.00 0.00 O ATOM 0 H GLU A 74 6.815 10.946 4.363 1.00 0.00 H new ATOM 0 HA GLU A 74 9.340 9.996 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.772 11.244 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.519 12.203 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.231 12.276 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.141 10.631 6.747 1.00 0.00 H new ATOM 1192 N ALA A 75 6.645 8.458 6.246 1.00 0.00 N ATOM 1193 CA ALA A 75 6.143 7.287 6.946 1.00 0.00 C ATOM 1194 C ALA A 75 6.285 6.060 6.044 1.00 0.00 C ATOM 1195 O ALA A 75 5.637 5.038 6.271 1.00 0.00 O ATOM 1196 CB ALA A 75 4.694 7.532 7.373 1.00 0.00 C ATOM 0 H ALA A 75 5.952 8.946 5.679 1.00 0.00 H new ATOM 0 HA ALA A 75 6.723 7.101 7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.316 6.655 7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.651 8.397 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.081 7.719 6.491 1.00 0.00 H new ATOM 1202 N SER A 76 7.139 6.198 5.040 1.00 0.00 N ATOM 1203 CA SER A 76 7.375 5.113 4.102 1.00 0.00 C ATOM 1204 C SER A 76 7.981 3.914 4.834 1.00 0.00 C ATOM 1205 O SER A 76 7.298 2.920 5.074 1.00 0.00 O ATOM 1206 CB SER A 76 8.292 5.560 2.962 1.00 0.00 C ATOM 1207 OG SER A 76 8.910 4.454 2.310 1.00 0.00 O ATOM 0 H SER A 76 7.676 7.045 4.856 1.00 0.00 H new ATOM 0 HA SER A 76 6.419 4.820 3.668 1.00 0.00 H new ATOM 0 HB2 SER A 76 7.715 6.133 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.061 6.225 3.355 1.00 0.00 H new ATOM 0 HG SER A 76 9.486 4.780 1.587 1.00 0.00 H new ATOM 1213 N GLY A 77 9.256 4.047 5.166 1.00 0.00 N ATOM 1214 CA GLY A 77 9.961 2.986 5.864 1.00 0.00 C ATOM 1215 C GLY A 77 9.175 2.519 7.090 1.00 0.00 C ATOM 1216 O GLY A 77 9.410 1.427 7.606 1.00 0.00 O ATOM 0 H GLY A 77 9.819 4.873 4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.121 2.146 5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.945 3.340 6.172 1.00 0.00 H new ATOM 1220 N PHE A 78 8.257 3.371 7.524 1.00 0.00 N ATOM 1221 CA PHE A 78 7.434 3.059 8.680 1.00 0.00 C ATOM 1222 C PHE A 78 6.354 2.034 8.326 1.00 0.00 C ATOM 1223 O PHE A 78 6.125 1.085 9.075 1.00 0.00 O ATOM 1224 CB PHE A 78 6.760 4.362 9.114 1.00 0.00 C ATOM 1225 CG PHE A 78 7.244 4.894 10.466 1.00 0.00 C ATOM 1226 CD1 PHE A 78 7.274 4.072 11.548 1.00 0.00 C ATOM 1227 CD2 PHE A 78 7.644 6.189 10.582 1.00 0.00 C ATOM 1228 CE1 PHE A 78 7.724 4.566 12.802 1.00 0.00 C ATOM 1229 CE2 PHE A 78 8.094 6.682 11.835 1.00 0.00 C ATOM 1230 CZ PHE A 78 8.124 5.859 12.919 1.00 0.00 C ATOM 0 H PHE A 78 8.065 4.277 7.096 1.00 0.00 H new ATOM 0 HA PHE A 78 8.052 2.636 9.472 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.936 5.121 8.352 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.683 4.203 9.162 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.956 3.044 11.455 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.619 6.841 9.722 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.748 3.913 13.662 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.412 7.710 11.928 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.466 6.234 13.872 1.00 0.00 H new ATOM 1240 N ILE A 79 5.721 2.260 7.185 1.00 0.00 N ATOM 1241 CA ILE A 79 4.672 1.368 6.721 1.00 0.00 C ATOM 1242 C ILE A 79 5.287 0.022 6.332 1.00 0.00 C ATOM 1243 O ILE A 79 4.695 -1.028 6.574 1.00 0.00 O ATOM 1244 CB ILE A 79 3.869 2.025 5.596 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.792 2.541 4.493 1.00 0.00 C ATOM 1246 CG2 ILE A 79 2.957 3.125 6.145 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.018 2.773 3.194 1.00 0.00 C ATOM 0 H ILE A 79 5.914 3.048 6.567 1.00 0.00 H new ATOM 0 HA ILE A 79 3.957 1.173 7.520 1.00 0.00 H new ATOM 0 HB ILE A 79 3.226 1.268 5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.261 3.472 4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.594 1.823 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.397 3.576 5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.262 2.695 6.866 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.562 3.888 6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.698 3.140 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.571 1.835 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.233 3.509 3.365 1.00 0.00 H new ATOM 1259 N ARG A 80 6.469 0.099 5.738 1.00 0.00 N ATOM 1260 CA ARG A 80 7.171 -1.101 5.314 1.00 0.00 C ATOM 1261 C ARG A 80 7.600 -1.924 6.530 1.00 0.00 C ATOM 1262 O ARG A 80 7.421 -3.141 6.556 1.00 0.00 O ATOM 1263 CB ARG A 80 8.405 -0.751 4.481 1.00 0.00 C ATOM 1264 CG ARG A 80 9.328 -1.963 4.332 1.00 0.00 C ATOM 1265 CD ARG A 80 10.274 -1.790 3.142 1.00 0.00 C ATOM 1266 NE ARG A 80 11.596 -2.375 3.456 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.462 -1.853 4.351 1.00 0.00 C ATOM 1268 NH1 ARG A 80 12.151 -0.728 5.028 1.00 0.00 N ATOM 1269 NH2 ARG A 80 13.617 -2.461 4.553 1.00 0.00 N ATOM 0 H ARG A 80 6.958 0.972 5.540 1.00 0.00 H new ATOM 0 HA ARG A 80 6.486 -1.686 4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.096 -0.401 3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.947 0.068 4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.908 -2.097 5.245 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.731 -2.865 4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.854 -2.273 2.260 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.383 -0.732 2.904 1.00 0.00 H new ATOM 0 HE ARG A 80 11.871 -3.226 2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.256 -0.266 4.865 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.810 -0.340 5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.843 -3.311 4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.283 -2.080 5.225 1.00 0.00 H new ATOM 1282 N SER A 81 8.159 -1.227 7.509 1.00 0.00 N ATOM 1283 CA SER A 81 8.615 -1.876 8.725 1.00 0.00 C ATOM 1284 C SER A 81 7.415 -2.336 9.555 1.00 0.00 C ATOM 1285 O SER A 81 7.471 -3.374 10.210 1.00 0.00 O ATOM 1286 CB SER A 81 9.503 -0.942 9.548 1.00 0.00 C ATOM 1287 OG SER A 81 10.335 -1.658 10.458 1.00 0.00 O ATOM 0 H SER A 81 8.306 -0.218 7.484 1.00 0.00 H new ATOM 0 HA SER A 81 9.210 -2.746 8.446 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.125 -0.350 8.877 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.877 -0.243 10.103 1.00 0.00 H new ATOM 0 HG SER A 81 10.887 -1.025 10.963 1.00 0.00 H new ATOM 1293 N LEU A 82 6.358 -1.539 9.500 1.00 0.00 N ATOM 1294 CA LEU A 82 5.145 -1.850 10.239 1.00 0.00 C ATOM 1295 C LEU A 82 4.540 -3.144 9.693 1.00 0.00 C ATOM 1296 O LEU A 82 4.015 -3.956 10.452 1.00 0.00 O ATOM 1297 CB LEU A 82 4.183 -0.662 10.213 1.00 0.00 C ATOM 1298 CG LEU A 82 2.970 -0.762 11.141 1.00 0.00 C ATOM 1299 CD1 LEU A 82 2.133 0.518 11.090 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.136 -2.005 10.819 1.00 0.00 C ATOM 0 H LEU A 82 6.316 -0.678 8.955 1.00 0.00 H new ATOM 0 HA LEU A 82 5.372 -2.023 11.291 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.741 0.238 10.472 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.825 -0.532 9.192 1.00 0.00 H new ATOM 0 HG LEU A 82 3.330 -0.870 12.164 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.278 0.420 11.758 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.744 1.365 11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.781 0.682 10.072 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.280 -2.053 11.492 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.785 -1.951 9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.749 -2.897 10.947 1.00 0.00 H new ATOM 1312 N LEU A 83 4.634 -3.296 8.380 1.00 0.00 N ATOM 1313 CA LEU A 83 4.101 -4.479 7.723 1.00 0.00 C ATOM 1314 C LEU A 83 4.910 -5.704 8.154 1.00 0.00 C ATOM 1315 O LEU A 83 4.377 -6.607 8.797 1.00 0.00 O ATOM 1316 CB LEU A 83 4.054 -4.274 6.207 1.00 0.00 C ATOM 1317 CG LEU A 83 3.104 -3.185 5.707 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.676 -2.484 4.471 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.707 -3.752 5.449 1.00 0.00 C ATOM 0 H LEU A 83 5.071 -2.620 7.753 1.00 0.00 H new ATOM 0 HA LEU A 83 3.070 -4.654 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.060 -4.038 5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.770 -5.218 5.741 1.00 0.00 H new ATOM 0 HG LEU A 83 3.006 -2.432 6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.981 -1.714 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.632 -2.025 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.822 -3.213 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.051 -2.957 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.766 -4.537 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.306 -4.167 6.374 1.00 0.00 H new ATOM 1331 N GLY A 84 6.181 -5.694 7.782 1.00 0.00 N ATOM 1332 CA GLY A 84 7.068 -6.794 8.123 1.00 0.00 C ATOM 1333 C GLY A 84 6.829 -7.268 9.558 1.00 0.00 C ATOM 1334 O GLY A 84 6.616 -8.455 9.796 1.00 0.00 O ATOM 0 H GLY A 84 6.618 -4.943 7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.909 -7.622 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.105 -6.478 8.009 1.00 0.00 H new ATOM 1338 N LYS A 85 6.873 -6.313 10.476 1.00 0.00 N ATOM 1339 CA LYS A 85 6.665 -6.618 11.881 1.00 0.00 C ATOM 1340 C LYS A 85 5.214 -7.060 12.094 1.00 0.00 C ATOM 1341 O LYS A 85 4.950 -7.986 12.858 1.00 0.00 O ATOM 1342 CB LYS A 85 7.080 -5.432 12.754 1.00 0.00 C ATOM 1343 CG LYS A 85 8.505 -5.613 13.283 1.00 0.00 C ATOM 1344 CD LYS A 85 8.890 -4.468 14.223 1.00 0.00 C ATOM 1345 CE LYS A 85 9.092 -3.166 13.448 1.00 0.00 C ATOM 1346 NZ LYS A 85 9.959 -2.239 14.211 1.00 0.00 N ATOM 0 H LYS A 85 7.049 -5.329 10.274 1.00 0.00 H new ATOM 0 HA LYS A 85 7.300 -7.449 12.188 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.017 -4.510 12.175 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.388 -5.331 13.590 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.583 -6.564 13.811 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.204 -5.654 12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.111 -4.331 14.973 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.805 -4.723 14.757 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.542 -3.379 12.478 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.127 -2.696 13.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.087 -1.359 13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.515 -2.022 15.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.885 -2.684 14.372 1.00 0.00 H new ATOM 1359 N ALA A 86 4.315 -6.375 11.403 1.00 0.00 N ATOM 1360 CA ALA A 86 2.899 -6.686 11.506 1.00 0.00 C ATOM 1361 C ALA A 86 2.668 -8.140 11.087 1.00 0.00 C ATOM 1362 O ALA A 86 1.786 -8.810 11.620 1.00 0.00 O ATOM 1363 CB ALA A 86 2.097 -5.700 10.654 1.00 0.00 C ATOM 0 H ALA A 86 4.539 -5.607 10.770 1.00 0.00 H new ATOM 0 HA ALA A 86 2.557 -6.581 12.536 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.035 -5.933 10.731 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.273 -4.685 11.010 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.411 -5.779 9.613 1.00 0.00 H new ATOM 1369 N MET A 87 3.475 -8.582 10.134 1.00 0.00 N ATOM 1370 CA MET A 87 3.370 -9.944 9.637 1.00 0.00 C ATOM 1371 C MET A 87 4.581 -10.778 10.060 1.00 0.00 C ATOM 1372 O MET A 87 4.788 -11.880 9.556 1.00 0.00 O ATOM 1373 CB MET A 87 3.271 -9.924 8.110 1.00 0.00 C ATOM 1374 CG MET A 87 4.598 -9.488 7.481 1.00 0.00 C ATOM 1375 SD MET A 87 4.652 -9.981 5.768 1.00 0.00 S ATOM 1376 CE MET A 87 4.089 -8.475 4.993 1.00 0.00 C ATOM 0 H MET A 87 4.204 -8.022 9.693 1.00 0.00 H new ATOM 0 HA MET A 87 2.475 -10.398 10.062 1.00 0.00 H new ATOM 0 HB2 MET A 87 3.000 -10.915 7.746 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.477 -9.243 7.802 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.710 -8.407 7.560 1.00 0.00 H new ATOM 0 HG3 MET A 87 5.431 -9.935 8.023 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.404 -8.718 4.180 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.574 -7.857 5.729 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.944 -7.929 4.596 1.00 0.00 H new ATOM 1386 N ARG A 88 5.350 -10.220 10.984 1.00 0.00 N ATOM 1387 CA ARG A 88 6.534 -10.898 11.481 1.00 0.00 C ATOM 1388 C ARG A 88 7.026 -11.925 10.460 1.00 0.00 C ATOM 1389 O ARG A 88 6.855 -13.128 10.653 1.00 0.00 O ATOM 1390 CB ARG A 88 6.249 -11.603 12.808 1.00 0.00 C ATOM 1391 CG ARG A 88 6.810 -10.805 13.986 1.00 0.00 C ATOM 1392 CD ARG A 88 6.829 -11.650 15.262 1.00 0.00 C ATOM 1393 NE ARG A 88 8.114 -11.465 15.973 1.00 0.00 N ATOM 1394 CZ ARG A 88 8.396 -12.001 17.179 1.00 0.00 C ATOM 1395 NH1 ARG A 88 7.483 -12.762 17.820 1.00 0.00 N ATOM 1396 NH2 ARG A 88 9.577 -11.770 17.720 1.00 0.00 N ATOM 0 H ARG A 88 5.175 -9.306 11.401 1.00 0.00 H new ATOM 0 HA ARG A 88 7.304 -10.144 11.642 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.174 -11.732 12.931 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.691 -12.599 12.796 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.820 -10.468 13.753 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.205 -9.912 14.146 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.001 -11.363 15.910 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.690 -12.702 15.013 1.00 0.00 H new ATOM 0 HE ARG A 88 8.832 -10.897 15.523 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.573 -12.935 17.393 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.703 -13.164 18.731 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.260 -11.194 17.227 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.807 -12.167 18.631 1.00 0.00 H new ATOM 1409 N LEU A 89 7.625 -11.413 9.395 1.00 0.00 N ATOM 1410 CA LEU A 89 8.143 -12.272 8.343 1.00 0.00 C ATOM 1411 C LEU A 89 9.671 -12.198 8.335 1.00 0.00 C ATOM 1412 O LEU A 89 10.289 -11.933 9.365 1.00 0.00 O ATOM 1413 CB LEU A 89 7.503 -11.918 6.999 1.00 0.00 C ATOM 1414 CG LEU A 89 6.984 -13.096 6.172 1.00 0.00 C ATOM 1415 CD1 LEU A 89 5.850 -13.819 6.900 1.00 0.00 C ATOM 1416 CD2 LEU A 89 6.568 -12.642 4.772 1.00 0.00 C ATOM 0 H LEU A 89 7.763 -10.415 9.238 1.00 0.00 H new ATOM 0 HA LEU A 89 7.875 -13.311 8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.673 -11.235 7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.236 -11.375 6.402 1.00 0.00 H new ATOM 0 HG LEU A 89 7.797 -13.812 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.499 -14.652 6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.214 -14.196 7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.028 -13.125 7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.203 -13.499 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.777 -11.896 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.427 -12.208 4.260 1.00 0.00 H new ATOM 1428 N ARG A 90 10.237 -12.436 7.161 1.00 0.00 N ATOM 1429 CA ARG A 90 11.682 -12.398 7.005 1.00 0.00 C ATOM 1430 C ARG A 90 12.053 -11.877 5.616 1.00 0.00 C ATOM 1431 O ARG A 90 12.938 -11.034 5.481 1.00 0.00 O ATOM 1432 CB ARG A 90 12.293 -13.788 7.200 1.00 0.00 C ATOM 1433 CG ARG A 90 11.598 -14.821 6.312 1.00 0.00 C ATOM 1434 CD ARG A 90 12.054 -16.239 6.660 1.00 0.00 C ATOM 1435 NE ARG A 90 11.475 -17.208 5.703 1.00 0.00 N ATOM 1436 CZ ARG A 90 11.920 -18.472 5.542 1.00 0.00 C ATOM 1437 NH1 ARG A 90 12.956 -18.932 6.274 1.00 0.00 N ATOM 1438 NH2 ARG A 90 11.328 -19.252 4.657 1.00 0.00 N ATOM 0 H ARG A 90 9.722 -12.656 6.309 1.00 0.00 H new ATOM 0 HA ARG A 90 12.080 -11.727 7.766 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.357 -13.758 6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.206 -14.084 8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.518 -14.742 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.817 -14.612 5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.142 -16.296 6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.746 -16.490 7.675 1.00 0.00 H new ATOM 0 HE ARG A 90 10.690 -16.901 5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.409 -18.323 6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.286 -19.889 6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.546 -18.897 4.107 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.652 -20.210 4.523 1.00 0.00 H new ATOM 1451 N ILE A 91 11.355 -12.399 4.617 1.00 0.00 N ATOM 1452 CA ILE A 91 11.600 -11.996 3.242 1.00 0.00 C ATOM 1453 C ILE A 91 11.831 -10.484 3.192 1.00 0.00 C ATOM 1454 O ILE A 91 12.562 -9.992 2.332 1.00 0.00 O ATOM 1455 CB ILE A 91 10.467 -12.475 2.334 1.00 0.00 C ATOM 1456 CG1 ILE A 91 9.101 -12.188 2.962 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.635 -13.954 1.980 1.00 0.00 C ATOM 1458 CD1 ILE A 91 8.109 -11.683 1.912 1.00 0.00 C ATOM 0 H ILE A 91 10.620 -13.097 4.732 1.00 0.00 H new ATOM 0 HA ILE A 91 12.505 -12.470 2.861 1.00 0.00 H new ATOM 0 HB ILE A 91 10.517 -11.913 1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.713 -13.094 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.209 -11.445 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.816 -14.269 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.583 -14.099 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.626 -14.550 2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.147 -11.487 2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.488 -10.764 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.985 -12.438 1.136 1.00 0.00 H new ATOM 1470 N VAL A 92 11.197 -9.790 4.125 1.00 0.00 N ATOM 1471 CA VAL A 92 11.324 -8.344 4.197 1.00 0.00 C ATOM 1472 C VAL A 92 11.726 -7.802 2.824 1.00 0.00 C ATOM 1473 O VAL A 92 12.785 -7.193 2.679 1.00 0.00 O ATOM 1474 CB VAL A 92 12.309 -7.959 5.304 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.411 -6.440 5.444 1.00 0.00 C ATOM 1476 CG2 VAL A 92 11.920 -8.609 6.633 1.00 0.00 C ATOM 0 H VAL A 92 10.594 -10.202 4.837 1.00 0.00 H new ATOM 0 HA VAL A 92 10.368 -7.890 4.458 1.00 0.00 H new ATOM 0 HB VAL A 92 13.293 -8.335 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.117 -6.194 6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 92 12.757 -6.010 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.431 -6.031 5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.635 -8.320 7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.923 -8.278 6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.924 -9.693 6.523 1.00 0.00 H new ATOM 1486 N PRO A 93 10.836 -8.048 1.825 1.00 0.00 N ATOM 1487 CA PRO A 93 11.088 -7.592 0.469 1.00 0.00 C ATOM 1488 C PRO A 93 10.860 -6.085 0.347 1.00 0.00 C ATOM 1489 O PRO A 93 10.168 -5.488 1.171 1.00 0.00 O ATOM 1490 CB PRO A 93 10.145 -8.407 -0.402 1.00 0.00 C ATOM 1491 CG PRO A 93 9.080 -8.952 0.536 1.00 0.00 C ATOM 1492 CD PRO A 93 9.572 -8.766 1.961 1.00 0.00 C ATOM 0 HA PRO A 93 12.123 -7.741 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.700 -7.788 -1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.677 -9.216 -0.902 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.136 -8.428 0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.895 -10.006 0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.856 -8.199 2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.713 -9.725 2.460 1.00 0.00 H new ATOM 1500 N GLU A 94 11.455 -5.510 -0.688 1.00 0.00 N ATOM 1501 CA GLU A 94 11.325 -4.083 -0.930 1.00 0.00 C ATOM 1502 C GLU A 94 9.889 -3.742 -1.332 1.00 0.00 C ATOM 1503 O GLU A 94 9.655 -3.211 -2.417 1.00 0.00 O ATOM 1504 CB GLU A 94 12.320 -3.614 -1.994 1.00 0.00 C ATOM 1505 CG GLU A 94 12.942 -2.271 -1.608 1.00 0.00 C ATOM 1506 CD GLU A 94 14.151 -1.954 -2.490 1.00 0.00 C ATOM 1507 OE1 GLU A 94 15.150 -2.688 -2.460 1.00 0.00 O ATOM 1508 OE2 GLU A 94 14.029 -0.902 -3.225 1.00 0.00 O ATOM 0 H GLU A 94 12.029 -6.007 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 94 11.558 -3.554 -0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.105 -4.360 -2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.814 -3.522 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.198 -1.480 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.247 -2.294 -0.562 1.00 0.00 H new ATOM 1516 N LEU A 95 8.966 -4.058 -0.437 1.00 0.00 N ATOM 1517 CA LEU A 95 7.559 -3.792 -0.685 1.00 0.00 C ATOM 1518 C LEU A 95 7.318 -2.281 -0.656 1.00 0.00 C ATOM 1519 O LEU A 95 6.989 -1.721 0.390 1.00 0.00 O ATOM 1520 CB LEU A 95 6.684 -4.573 0.297 1.00 0.00 C ATOM 1521 CG LEU A 95 7.084 -4.483 1.770 1.00 0.00 C ATOM 1522 CD1 LEU A 95 5.904 -4.028 2.633 1.00 0.00 C ATOM 1523 CD2 LEU A 95 7.675 -5.806 2.261 1.00 0.00 C ATOM 0 H LEU A 95 9.165 -4.496 0.462 1.00 0.00 H new ATOM 0 HA LEU A 95 7.274 -4.142 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.657 -4.220 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.690 -5.623 0.003 1.00 0.00 H new ATOM 0 HG LEU A 95 7.864 -3.727 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.216 -3.973 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.569 -3.045 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.086 -4.742 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.951 -5.714 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.936 -6.599 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.560 -6.049 1.674 1.00 0.00 H new ATOM 1535 N THR A 96 7.492 -1.664 -1.816 1.00 0.00 N ATOM 1536 CA THR A 96 7.297 -0.229 -1.936 1.00 0.00 C ATOM 1537 C THR A 96 5.807 0.100 -2.054 1.00 0.00 C ATOM 1538 O THR A 96 4.990 -0.787 -2.296 1.00 0.00 O ATOM 1539 CB THR A 96 8.124 0.262 -3.125 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.297 1.656 -2.876 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.344 0.214 -4.441 1.00 0.00 C ATOM 0 H THR A 96 7.766 -2.131 -2.680 1.00 0.00 H new ATOM 0 HA THR A 96 7.642 0.293 -1.044 1.00 0.00 H new ATOM 0 HB THR A 96 9.025 -0.344 -3.214 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.825 2.054 -3.599 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.977 0.573 -5.252 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.039 -0.812 -4.646 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.460 0.847 -4.363 1.00 0.00 H new ATOM 1549 N PHE A 97 5.499 1.377 -1.876 1.00 0.00 N ATOM 1550 CA PHE A 97 4.123 1.832 -1.961 1.00 0.00 C ATOM 1551 C PHE A 97 3.980 2.961 -2.983 1.00 0.00 C ATOM 1552 O PHE A 97 4.438 4.078 -2.748 1.00 0.00 O ATOM 1553 CB PHE A 97 3.742 2.364 -0.577 1.00 0.00 C ATOM 1554 CG PHE A 97 4.446 3.667 -0.196 1.00 0.00 C ATOM 1555 CD1 PHE A 97 5.772 3.662 0.106 1.00 0.00 C ATOM 1556 CD2 PHE A 97 3.745 4.833 -0.158 1.00 0.00 C ATOM 1557 CE1 PHE A 97 6.425 4.872 0.459 1.00 0.00 C ATOM 1558 CE2 PHE A 97 4.398 6.043 0.196 1.00 0.00 C ATOM 1559 CZ PHE A 97 5.725 6.037 0.497 1.00 0.00 C ATOM 0 H PHE A 97 6.179 2.110 -1.673 1.00 0.00 H new ATOM 0 HA PHE A 97 3.479 1.010 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.664 2.522 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.976 1.605 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 97 6.329 2.737 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.692 4.838 -0.397 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.478 4.867 0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.842 6.968 0.226 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.222 6.957 0.766 1.00 0.00 H new ATOM 1569 N PHE A 98 3.344 2.629 -4.097 1.00 0.00 N ATOM 1570 CA PHE A 98 3.136 3.601 -5.158 1.00 0.00 C ATOM 1571 C PHE A 98 1.815 4.350 -4.964 1.00 0.00 C ATOM 1572 O PHE A 98 0.743 3.755 -5.050 1.00 0.00 O ATOM 1573 CB PHE A 98 3.080 2.824 -6.473 1.00 0.00 C ATOM 1574 CG PHE A 98 4.286 3.053 -7.385 1.00 0.00 C ATOM 1575 CD1 PHE A 98 5.455 2.399 -7.145 1.00 0.00 C ATOM 1576 CD2 PHE A 98 4.191 3.912 -8.435 1.00 0.00 C ATOM 1577 CE1 PHE A 98 6.575 2.613 -7.990 1.00 0.00 C ATOM 1578 CE2 PHE A 98 5.311 4.126 -9.282 1.00 0.00 C ATOM 1579 CZ PHE A 98 6.480 3.471 -9.041 1.00 0.00 C ATOM 0 H PHE A 98 2.966 1.701 -4.288 1.00 0.00 H new ATOM 0 HA PHE A 98 3.943 4.334 -5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.003 1.760 -6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 98 2.174 3.104 -7.010 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.530 1.717 -6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.264 4.432 -8.625 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.503 2.094 -7.798 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.235 4.808 -10.116 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.332 3.633 -9.685 1.00 0.00 H new ATOM 1589 N TYR A 99 1.938 5.644 -4.706 1.00 0.00 N ATOM 1590 CA TYR A 99 0.767 6.480 -4.500 1.00 0.00 C ATOM 1591 C TYR A 99 0.235 7.018 -5.830 1.00 0.00 C ATOM 1592 O TYR A 99 0.778 7.977 -6.376 1.00 0.00 O ATOM 1593 CB TYR A 99 1.234 7.654 -3.638 1.00 0.00 C ATOM 1594 CG TYR A 99 2.754 7.786 -3.538 1.00 0.00 C ATOM 1595 CD1 TYR A 99 3.485 8.198 -4.635 1.00 0.00 C ATOM 1596 CD2 TYR A 99 3.396 7.496 -2.353 1.00 0.00 C ATOM 1597 CE1 TYR A 99 4.915 8.323 -4.542 1.00 0.00 C ATOM 1598 CE2 TYR A 99 4.828 7.620 -2.258 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.517 8.029 -3.358 1.00 0.00 C ATOM 1600 OH TYR A 99 6.869 8.146 -3.269 1.00 0.00 O ATOM 0 H TYR A 99 2.830 6.134 -4.635 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.034 5.909 -4.031 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.826 8.578 -4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.823 7.541 -2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.983 8.426 -5.563 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.824 7.175 -1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.498 8.643 -5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.343 7.394 -1.336 1.00 0.00 H new ATOM 0 HH TYR A 99 7.159 7.905 -2.365 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.819 6.376 -6.313 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.429 6.778 -7.568 1.00 0.00 C ATOM 1612 C ASP A 100 -2.719 7.547 -7.280 1.00 0.00 C ATOM 1613 O ASP A 100 -3.788 6.950 -7.155 1.00 0.00 O ATOM 1614 CB ASP A 100 -1.785 5.560 -8.423 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.375 5.660 -9.893 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -2.169 5.365 -10.799 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -0.168 6.065 -10.097 1.00 0.00 O ATOM 0 H ASP A 100 -1.266 5.580 -5.857 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.714 7.399 -8.106 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.312 4.679 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.862 5.401 -8.372 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.579 8.861 -7.182 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.720 9.718 -6.911 1.00 0.00 C ATOM 1625 C ASN A 101 -4.307 10.213 -8.234 1.00 0.00 C ATOM 1626 O ASN A 101 -3.873 9.795 -9.305 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.308 10.941 -6.090 1.00 0.00 C ATOM 1628 CG ASN A 101 -2.066 10.644 -5.247 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -1.000 11.203 -5.448 1.00 0.00 O ATOM 1630 ND2 ASN A 101 -2.261 9.734 -4.297 1.00 0.00 N ATOM 0 H ASN A 101 -1.692 9.353 -7.286 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.452 9.137 -6.350 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.107 11.780 -6.757 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.130 11.240 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -1.492 9.465 -3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.179 9.305 -4.183 1.00 0.00 H new ATOM 1637 N SER A 102 -5.287 11.097 -8.116 1.00 0.00 N ATOM 1638 CA SER A 102 -5.939 11.652 -9.290 1.00 0.00 C ATOM 1639 C SER A 102 -5.152 12.861 -9.801 1.00 0.00 C ATOM 1640 O SER A 102 -5.644 13.618 -10.637 1.00 0.00 O ATOM 1641 CB SER A 102 -7.383 12.052 -8.982 1.00 0.00 C ATOM 1642 OG SER A 102 -7.719 11.827 -7.614 1.00 0.00 O ATOM 0 H SER A 102 -5.645 11.443 -7.226 1.00 0.00 H new ATOM 0 HA SER A 102 -5.961 10.885 -10.064 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.527 13.105 -9.222 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.060 11.484 -9.620 1.00 0.00 H new ATOM 0 HG SER A 102 -8.648 12.096 -7.457 1.00 0.00 H new ATOM 1648 N LEU A 103 -3.943 13.006 -9.278 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.083 14.108 -9.672 1.00 0.00 C ATOM 1650 C LEU A 103 -2.137 13.642 -10.778 1.00 0.00 C ATOM 1651 O LEU A 103 -1.309 14.415 -11.259 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.366 14.690 -8.452 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.594 15.991 -8.685 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.425 17.202 -8.258 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.233 15.954 -7.986 1.00 0.00 C ATOM 0 H LEU A 103 -3.539 12.377 -8.584 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.675 14.925 -10.084 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.105 14.864 -7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.671 13.941 -8.072 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.403 16.090 -9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.855 18.114 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.347 17.233 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.666 17.123 -7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.295 16.890 -8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.378 15.821 -6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.355 15.124 -8.378 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.289 12.380 -11.151 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.458 11.802 -12.192 1.00 0.00 C ATOM 1669 C VAL A 104 -2.315 10.898 -13.081 1.00 0.00 C ATOM 1670 O VAL A 104 -1.795 10.197 -13.948 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.269 11.069 -11.568 1.00 0.00 C ATOM 1672 CG1 VAL A 104 0.404 10.145 -12.585 1.00 0.00 C ATOM 1673 CG2 VAL A 104 0.737 12.060 -10.977 1.00 0.00 C ATOM 0 H VAL A 104 -2.976 11.741 -10.750 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.044 12.586 -12.826 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.648 10.450 -10.755 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.246 9.637 -12.114 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.315 9.406 -12.937 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.762 10.733 -13.430 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.572 11.513 -10.540 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.106 12.717 -11.764 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.250 12.656 -10.205 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.617 10.944 -12.836 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.552 10.138 -13.603 1.00 0.00 C ATOM 1685 C GLU A 105 -5.896 10.860 -13.728 1.00 0.00 C ATOM 1686 O GLU A 105 -6.543 10.796 -14.772 1.00 0.00 O ATOM 1687 CB GLU A 105 -4.729 8.755 -12.974 1.00 0.00 C ATOM 1688 CG GLU A 105 -3.449 8.309 -12.263 1.00 0.00 C ATOM 1689 CD GLU A 105 -2.409 7.810 -13.268 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -2.657 7.844 -14.483 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -1.311 7.378 -12.749 1.00 0.00 O ATOM 0 H GLU A 105 -4.046 11.527 -12.117 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.143 9.996 -14.603 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.555 8.778 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.992 8.031 -13.746 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -3.038 9.141 -11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.681 7.517 -11.551 1.00 0.00 H new ATOM 1699 N GLY A 106 -6.274 11.530 -12.649 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.529 12.262 -12.625 1.00 0.00 C ATOM 1701 C GLY A 106 -8.682 11.360 -12.183 1.00 0.00 C ATOM 1702 O GLY A 106 -9.563 11.792 -11.440 1.00 0.00 O ATOM 0 H GLY A 106 -5.733 11.581 -11.786 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.446 13.111 -11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.738 12.665 -13.616 1.00 0.00 H new ATOM 1706 N MET A 107 -8.640 10.124 -12.657 1.00 0.00 N ATOM 1707 CA MET A 107 -9.670 9.157 -12.320 1.00 0.00 C ATOM 1708 C MET A 107 -9.333 8.428 -11.019 1.00 0.00 C ATOM 1709 O MET A 107 -9.922 7.392 -10.712 1.00 0.00 O ATOM 1710 CB MET A 107 -9.808 8.141 -13.455 1.00 0.00 C ATOM 1711 CG MET A 107 -8.638 7.155 -13.453 1.00 0.00 C ATOM 1712 SD MET A 107 -8.051 6.900 -15.119 1.00 0.00 S ATOM 1713 CE MET A 107 -6.834 8.201 -15.224 1.00 0.00 C ATOM 0 H MET A 107 -7.908 9.770 -13.272 1.00 0.00 H new ATOM 0 HA MET A 107 -10.611 9.690 -12.182 1.00 0.00 H new ATOM 0 HB2 MET A 107 -10.747 7.597 -13.349 1.00 0.00 H new ATOM 0 HB3 MET A 107 -9.848 8.662 -14.412 1.00 0.00 H new ATOM 0 HG2 MET A 107 -7.830 7.538 -12.829 1.00 0.00 H new ATOM 0 HG3 MET A 107 -8.953 6.205 -13.020 1.00 0.00 H new ATOM 0 HE1 MET A 107 -7.179 8.966 -15.919 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.689 8.644 -14.239 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.890 7.788 -15.578 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.387 8.997 -10.287 1.00 0.00 N ATOM 1724 CA ARG A 108 -7.963 8.414 -9.026 1.00 0.00 C ATOM 1725 C ARG A 108 -8.316 9.346 -7.864 1.00 0.00 C ATOM 1726 O ARG A 108 -9.468 9.399 -7.435 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.456 8.150 -9.018 1.00 0.00 C ATOM 1728 CG ARG A 108 -6.111 6.923 -9.862 1.00 0.00 C ATOM 1729 CD ARG A 108 -7.151 5.816 -9.673 1.00 0.00 C ATOM 1730 NE ARG A 108 -6.579 4.510 -10.072 1.00 0.00 N ATOM 1731 CZ ARG A 108 -6.270 4.175 -11.341 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -6.475 5.050 -12.351 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -5.764 2.980 -11.584 1.00 0.00 N ATOM 0 H ARG A 108 -7.902 9.857 -10.544 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.487 7.465 -8.908 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.928 9.022 -9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.115 7.999 -7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.061 7.204 -10.914 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.125 6.552 -9.584 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.470 5.780 -8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.037 6.032 -10.270 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.408 3.820 -9.341 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.866 5.972 -12.156 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.238 4.789 -13.308 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.612 2.325 -10.817 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.525 2.712 -12.539 1.00 0.00 H new